data_1x51_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 1x51 _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 ' 16' ' ' PRO . . . . . 0.474 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.155 0 CA-C-O 120.831 0.263 . . . . 0.0 112.381 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.474 ' C ' ' O ' ' A' ' 16' ' ' PRO . 61.8 mtt180 -32.15 -53.98 0.3 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.831 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -97.14 100.24 11.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -139.82 113.47 8.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.4 m -121.73 140.4 52.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.801 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.1 m -150.45 153.12 35.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.893 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.504 ' CB ' ' CD ' ' A' ' 65' ' ' GLN . . . -118.03 105.06 11.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.9 t -97.56 148.61 23.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 52.8 t -129.06 153.81 47.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.407 HG11 ' CE2' ' A' ' 146' ' ' TYR . 48.6 t -109.39 115.4 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.116 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 30.1 tp -98.85 127.64 44.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -134.55 148.77 50.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.499 ' HG2' ' CZ3' ' A' ' 124' ' ' TRP . 7.9 pt20 -142.86 148.04 44.21 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.662 0.744 . . . . 0.0 110.854 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 139.43 40.1 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.792 2.328 . . . . 0.0 112.319 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -144.72 175.77 24.21 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.451 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -43.83 -59.67 2.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.821 0.343 . . . . 0.0 111.138 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 24.8 mt -56.58 -49.23 75.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.72 -64.97 0.14 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -170.04 125.02 0.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.806 0.336 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.08 146.97 44.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.3 pt -98.82 174.37 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.9 tp -107.59 148.45 29.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.47 HD12 ' N ' ' A' ' 53' ' ' PHE . 10.5 tp -143.16 120.84 11.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.518 HG13 ' CD2' ' A' ' 76' ' ' TRP . 10.6 m -108.45 152.23 10.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -114.95 143.98 44.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? . . . . . 0 C--N 1.33 -0.267 0 CA-C-O 121.639 0.733 . . . . 0.0 110.834 -179.869 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.793 0.33 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 87.6 m95 -96.63 134.28 40.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.402 ' CB ' ' HG3' ' A' ' 139' ' ' MET . 4.5 pt-20 -170.45 154.6 4.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.932 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.557 ' CZ ' ' CE1' ' A' ' 130' ' ' PHE . 7.7 m-85 -55.32 150.95 20.51 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.641 0.734 . . . . 0.0 110.841 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 144.12 52.87 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.717 2.278 . . . . 0.0 112.288 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.1 p -145.49 169.03 19.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.4 ' CG2' HE22 ' A' ' 65' ' ' GLN . 4.8 m -135.94 170.13 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.4 t -54.82 158.41 2.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 85.3 t90 -79.26 140.13 37.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -122.14 138.57 29.09 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.672 0.748 . . . . 0.0 110.849 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 -34.02 15.74 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.667 2.245 . . . . 0.0 112.339 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.8 t -89.57 132.87 34.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.89 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -57.9 -16.63 12.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.958 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -92.54 -49.48 6.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.5 mp -53.9 -37.15 63.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.504 ' CD ' ' CB ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -62.82 -57.17 11.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 -58.74 -45.32 89.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -51.32 -67.03 0.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.88 -38.22 84.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.071 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 24.5 tp -48.94 -41.09 32.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 71' ' ' GLN . 78.3 mt -74.22 -47.91 32.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 70' ' ' LEU . 10.3 mt-30 -36.49 -53.92 0.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -57.93 -55.8 30.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 18.7 mt -45.95 -48.95 16.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -53.5 -41.92 66.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.974 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -50.72 -33.75 24.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.518 ' CD2' HG13 ' A' ' 39' ' ' VAL . 72.0 m95 -87.24 -71.57 0.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.943 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.98 -70.99 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.045 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 145.5 -99.43 0.21 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.48 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 108.76 2.14 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.722 2.281 . . . . 0.0 112.374 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -121.52 134.55 24.59 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.576 0.703 . . . . 0.0 110.96 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -179.82 3.17 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.715 2.276 . . . . 0.0 112.316 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -125.94 -54.09 1.52 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.003 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 56.1 m -64.58 -31.23 72.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.182 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -64.48 -20.97 66.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 33.4 tp -73.59 133.24 43.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 -152.71 133.93 14.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.433 ' HB2' ' CE1' ' A' ' 105' ' ' TYR . 6.3 t-80 -73.9 125.7 28.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.9 mt -123.59 94.13 4.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 62.21 -169.09 14.48 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.547 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -147.71 170.36 17.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.912 0.387 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.422 HG22 ' CG2' ' A' ' 104' ' ' VAL . 32.0 t -139.34 108.7 3.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.174 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 42.9 t -118.86 108.79 24.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.073 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 43.5 t60 -99.17 129.57 45.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.36 112.7 24.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.185 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -84.72 -175.07 5.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.4 m -50.98 -64.49 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.85 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.517 ' CG ' ' O ' ' A' ' 97' ' ' HIS . 0.4 OUTLIER -128.17 31.35 5.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.808 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.526 ' CG2' ' N ' ' A' ' 99' ' ' LYS . 18.7 mt -138.99 159.39 29.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.153 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.526 ' N ' ' CG2' ' A' ' 98' ' ' ILE . 2.2 tmtt? -135.12 118.37 16.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -110.03 143.21 40.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 21.8 m -127.92 100.69 6.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.133 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -100.86 131.97 46.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.905 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -98.9 112.62 24.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.932 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.422 ' CG2' HG22 ' A' ' 91' ' ' VAL . 47.9 t -70.66 127.63 32.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.188 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.433 ' CE1' ' HB2' ' A' ' 87' ' ' HIS . 14.8 m-85 -134.35 135.83 42.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -112.23 137.07 14.0 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.452 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.422 ' C ' ' CD1' ' A' ' 107' ' ' LEU . 1.8 tm? -152.0 114.25 4.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.875 0.369 . . . . 0.0 110.942 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -133.5 151.93 51.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.035 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 43.7 mt -93.54 103.41 15.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.958 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.83 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.159 0 CA-C-O 120.831 0.263 . . . . 0.0 112.333 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.3 p -109.26 -36.82 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.9 p 40.5 31.91 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.095 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 95.8 m -155.43 143.16 19.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.115 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.474 ' CG2' ' HD2' ' A' ' 119' ' ' PRO . 6.1 p -171.88 136.2 0.92 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.655 0.74 . . . . 0.0 111.118 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 118' ' ' VAL . 53.7 Cg_endo -69.81 169.89 17.92 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.722 2.282 . . . . 0.0 112.354 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 1.24 4.58 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.67 2.247 . . . . 0.0 112.35 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -107.77 1.07 34.03 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.499 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -133.53 138.79 46.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.78 0.324 . . . . 0.0 111.093 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.416 ' HB2' ' NH1' ' A' ' 123' ' ' ARG . 0.5 OUTLIER -126.56 141.12 51.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.826 -179.917 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' TRP . . . . . 0.499 ' CZ3' ' HG2' ' A' ' 28' ' ' GLN . 46.1 m95 -99.05 106.27 18.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.5 pp -117.35 169.9 9.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 5.8 p -87.44 -179.44 6.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -66.49 -43.69 84.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -73.5 -22.77 60.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -77.38 -34.24 54.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.557 ' CE1' ' CZ ' ' A' ' 53' ' ' PHE . 13.2 t80 -61.29 -55.21 34.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -44.05 -61.49 1.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.851 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 71.4 p -56.5 -19.07 13.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.106 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -72.67 142.53 48.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.144 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.89 99.04 0.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.046 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 1.1 t -126.81 140.92 47.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.184 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 137' ' ' THR . 3.5 p -68.3 140.1 55.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 136' ' ' SER . 44.1 m -34.9 -60.38 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.091 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 137' ' ' THR . . . -36.02 -58.65 0.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' MET . . . . . 0.402 ' HG3' ' CB ' ' A' ' 52' ' ' GLU . 44.1 mmm -61.25 -52.87 62.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -49.02 -23.07 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -84.14 -33.79 24.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.834 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 90.5 t -64.72 -34.12 67.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.145 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.52 ' CE2' ' CD ' ' A' ' 147' ' ' GLN . 85.8 t80 -62.86 -65.65 0.66 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.835 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -44.4 -33.07 1.54 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 41.0 t -74.04 -43.34 51.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . 0.407 ' CE2' HG11 ' A' ' 25' ' ' VAL . 3.9 t80 -65.12 -31.34 72.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . 0.52 ' CD ' ' CE2' ' A' ' 143' ' ' PHE . 60.4 mt-30 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.178 0 CA-C-O 120.755 0.231 . . . . 0.0 112.315 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 16' ' ' PRO . 23.7 mtp180 -34.75 -69.6 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.835 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -79.57 100.22 7.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -145.57 113.36 6.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.435 ' OG ' ' CB ' ' A' ' 58' ' ' TRP . 41.5 p -115.39 151.46 34.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.549 ' OG ' ' CE1' ' A' ' 102' ' ' TYR . 15.8 p -156.81 155.76 32.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.815 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -125.18 106.27 9.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.9 t -103.56 147.05 27.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.9 t -131.6 155.76 46.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 84.3 t -103.46 123.5 57.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.046 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.6 tp -108.91 109.22 20.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.956 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -119.16 145.16 46.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.463 ' HG2' ' CD1' ' A' ' 109' ' ' LEU . 79.6 mt-30 -138.11 141.41 32.08 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.611 0.719 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 120.41 7.21 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.635 2.223 . . . . 0.0 112.349 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -123.65 165.3 16.47 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.472 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.58 -56.57 2.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.852 0.358 . . . . 0.0 111.075 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.6 mt -57.69 -36.04 71.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 159.75 -71.73 0.23 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.543 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -172.99 139.36 0.83 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.848 0.356 . . . . 0.0 111.088 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -136.34 154.41 50.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.6 pt -104.52 172.48 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 tp -107.36 137.16 45.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.408 HD12 ' C ' ' A' ' 52' ' ' GLU . 12.0 tp -128.65 121.71 29.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.427 HG11 ' CD2' ' A' ' 76' ' ' TRP . 20.4 m -104.63 137.05 35.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -95.15 149.03 21.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.889 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 121.531 0.681 . . . . 0.0 110.892 -179.939 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.461 ' N ' HD22 ' A' ' 50' ' ' LEU . 4.4 mm? . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.722 0.296 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.519 ' CZ3' ' HG2' ' A' ' 123' ' ' ARG . 90.7 m95 -91.43 140.97 29.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.893 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.408 ' C ' HD12 ' A' ' 38' ' ' LEU . 15.2 pt-20 -172.01 176.43 3.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.858 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.403 ' CD1' ' CD1' ' A' ' 38' ' ' LEU . 21.5 m-85 -78.73 152.21 77.48 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.572 0.701 . . . . 0.0 110.883 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 142.98 49.5 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 122.653 2.235 . . . . 0.0 112.295 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.7 p -142.85 150.5 39.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.821 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.5 m -117.94 -176.93 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.21 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.9 p -71.53 133.12 45.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.435 ' CB ' ' OG ' ' A' ' 20' ' ' SER . 83.8 t90 -52.25 155.47 1.99 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -141.24 133.61 14.06 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.598 0.713 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -10.6 28.95 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.664 2.243 . . . . 0.0 112.328 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.6 t -119.42 128.13 53.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.814 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -51.11 -33.77 27.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -73.19 -53.38 11.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.937 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -50.59 -32.48 18.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -71.03 -60.05 2.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.952 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 36.5 mtm180 -59.59 -19.36 48.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -75.52 -60.84 2.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.835 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.63 -27.57 63.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.07 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.0 tp -50.13 -56.46 10.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 73.8 mt -60.95 -46.75 89.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.958 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -38.97 -44.28 1.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -73.26 -50.26 23.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.853 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 47.8 mt -49.18 -51.43 32.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -48.66 -38.22 20.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.947 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -57.29 -32.74 66.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.825 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.427 ' CD2' HG11 ' A' ' 39' ' ' VAL . 70.2 m95 -87.29 -69.4 0.69 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.921 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -79.67 -71.18 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.113 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 147.84 -98.51 0.19 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.47 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 106.86 1.73 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.754 2.303 . . . . 0.0 112.285 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -123.27 120.27 27.27 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.59 0.709 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 167.5 24.23 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.729 2.286 . . . . 0.0 112.281 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -101.35 -70.06 0.76 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 79.5 p -43.91 -49.94 8.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -43.72 -41.67 4.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 22.9 tp -59.22 131.21 50.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 32.2 mtm180 -147.66 147.78 30.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -87.37 115.97 25.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.5 mt -117.31 95.73 5.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 61.33 -171.99 7.8 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.486 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -145.43 171.0 15.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.957 0.408 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.41 HG23 ' CG2' ' A' ' 104' ' ' VAL . 47.9 t -141.24 105.25 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 97.8 t -120.14 109.33 25.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 57.8 t60 -98.89 121.86 41.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 30.7 m -90.59 111.17 22.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -85.11 -177.25 6.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 53.1 m -49.09 -72.52 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.825 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.484 ' CD2' HG13 ' A' ' 98' ' ' ILE . 18.5 p-80 -117.63 17.89 14.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.816 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.484 HG13 ' CD2' ' A' ' 97' ' ' HIS . 24.6 mt -129.48 152.92 37.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -133.14 118.16 18.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -105.88 144.93 31.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.871 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 85.7 m -131.16 104.34 7.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.549 ' CE1' ' OG ' ' A' ' 21' ' ' SER . 65.9 m-85 -106.61 130.24 54.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.957 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -94.01 111.07 22.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.41 ' CG2' HG23 ' A' ' 91' ' ' VAL . 90.2 t -70.37 123.04 23.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.055 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -130.53 138.42 50.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.933 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -109.48 132.75 11.23 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.469 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.405 ' C ' ' CD1' ' A' ' 107' ' ' LEU . 2.4 tm? -145.61 106.37 4.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.802 0.334 . . . . 0.0 110.947 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -130.34 144.2 51.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.094 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.463 ' CD1' ' HG2' ' A' ' 28' ' ' GLN . 60.9 mt -85.4 105.25 15.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.933 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 179.961 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.14 0 CA-C-O 120.848 0.27 . . . . 0.0 112.302 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 6.8 p -97.59 -33.5 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.7 p 38.94 37.12 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.157 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 18.9 m -165.76 154.8 11.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.472 ' CG2' ' HD2' ' A' ' 119' ' ' PRO . 9.2 p -167.46 137.38 2.28 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.674 0.749 . . . . 0.0 111.109 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 118' ' ' VAL . 54.2 Cg_endo -69.81 166.4 27.77 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.704 2.269 . . . . 0.0 112.362 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.65 100.3 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.73 2.286 . . . . 0.0 112.371 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 142.27 -13.69 2.54 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.47 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -114.41 155.4 26.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.815 0.341 . . . . 0.0 111.106 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.519 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 1.8 ptp180 -139.4 141.85 37.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.858 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 24.0 m95 -101.85 110.01 21.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 pp -124.81 169.71 11.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 11.1 p -84.32 177.01 8.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -66.19 -30.66 71.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -79.19 -48.41 14.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -56.55 -20.77 22.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.809 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.521 ' CE1' HG23 ' A' ' 135' ' ' VAL . 27.5 t80 -72.05 -63.49 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . 0.41 ' C ' ' O ' ' A' ' 130' ' ' PHE . 3.6 m-70 -36.85 -46.82 0.65 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 81.3 p -67.38 -47.81 69.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.126 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -45.04 155.11 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.096 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -72.68 102.92 3.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.152 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.521 HG23 ' CE1' ' A' ' 130' ' ' PHE . 1.1 t -131.02 148.07 33.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.196 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 40.3 t -76.66 152.34 35.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.0 0.429 . . . . 0.0 110.797 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 138' ' ' ALA . 25.4 m -42.25 -67.77 0.24 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.167 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 137' ' ' THR . . . -37.57 -58.83 0.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 47.8 mmm -54.09 -56.26 19.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 17.0 mtpt -48.56 -30.62 5.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.968 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 17.9 mtpt -77.2 -28.59 53.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 18.7 t -64.89 -15.91 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.464 ' CE2' ' NE2' ' A' ' 147' ' ' GLN . 75.7 t80 -83.94 -53.68 5.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.404 ' NH1' ' HB2' ' A' ' 144' ' ' ARG . 0.4 OUTLIER -60.35 -19.58 56.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.904 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 69.9 t -86.05 -27.15 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -76.3 -36.28 58.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . 0.464 ' NE2' ' CE2' ' A' ' 143' ' ' PHE . 40.0 mt-30 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.94 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.14 0 CA-C-O 120.782 0.243 . . . . 0.0 112.389 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 16' ' ' PRO . 36.1 mtp180 -35.34 -50.5 0.56 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.842 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -96.92 100.15 11.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -140.45 113.55 8.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.8 m -123.87 139.34 54.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.2 m -154.38 152.99 30.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.817 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.587 ' CB ' ' NE2' ' A' ' 65' ' ' GLN . . . -116.67 111.86 20.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.083 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.0 t -104.03 149.44 25.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.472 ' SG ' ' N ' ' A' ' 25' ' ' VAL . 1.5 t -128.78 159.3 36.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.85 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.472 ' N ' ' SG ' ' A' ' 24' ' ' CYS . 62.3 t -110.28 101.33 12.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.152 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.2 tp -87.27 120.0 28.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.488 ' OE1' ' NE2' ' A' ' 127' ' ' GLN . 29.0 tt0 -128.59 137.93 51.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.414 ' NE2' ' CG1' ' A' ' 115' ' ' VAL . 3.7 pt20 -120.26 143.82 36.62 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.627 0.727 . . . . 0.0 110.944 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 118.42 5.67 Favored 'Trans proline' 0 N--CA 1.466 -0.11 0 C-N-CA 122.75 2.3 . . . . 0.0 112.332 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -116.83 175.71 15.86 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.529 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.87 -62.5 1.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.822 0.344 . . . . 0.0 111.114 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.2 mt -51.99 -44.07 63.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.45 -75.55 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.444 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -170.91 148.01 2.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.668 0.27 . . . . 0.0 111.179 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -135.95 150.44 49.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.8 pt -104.3 177.12 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.8 tp -109.28 145.84 35.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.413 ' CD1' ' CD1' ' A' ' 53' ' ' PHE . 10.2 tp -143.0 126.69 16.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 29.2 m -110.8 139.72 33.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.53 ' HB3' ' CE3' ' A' ' 51' ' ' TRP . 8.1 pt20 -92.1 161.74 14.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.963 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.1 mtt180 . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 121.6 0.714 . . . . 0.0 110.875 -179.901 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.469 ' N ' HD23 ' A' ' 50' ' ' LEU . 1.5 mm? . . . . . 0 C--O 1.23 0.036 0 CA-C-O 120.834 0.35 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.53 ' CE3' ' HB3' ' A' ' 40' ' ' GLN . 90.2 m95 -90.29 134.26 34.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.826 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -160.62 169.59 22.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.413 ' CD1' ' CD1' ' A' ' 38' ' ' LEU . 18.2 m-85 -69.42 146.62 96.53 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.63 0.729 . . . . 0.0 110.917 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 142.3 47.35 Favored 'Trans proline' 0 C--N 1.34 0.115 0 C-N-CA 122.66 2.24 . . . . 0.0 112.299 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 45.8 p -146.64 165.7 28.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.3 m -128.43 171.99 15.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.9 t -53.72 158.75 1.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.115 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 79.3 t90 -78.08 146.08 35.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.492 ' OE1' ' NE2' ' A' ' 65' ' ' GLN . 38.7 mp0 -122.38 136.08 26.16 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.669 0.747 . . . . 0.0 110.915 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -21.21 33.58 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.667 2.244 . . . . 0.0 112.298 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 t -99.68 165.83 11.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.827 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -88.03 -20.34 25.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.955 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.6 tp60 -91.47 -42.72 10.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.3 mp -61.44 -34.96 76.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.587 ' NE2' ' CB ' ' A' ' 22' ' ' ALA . 26.2 tp60 -55.81 -48.87 74.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.456 ' HB3' ' CD2' ' A' ' 85' ' ' LEU . 19.0 mtp180 -74.3 -43.7 55.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.6 mttm -52.37 -43.29 64.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -81.82 -40.19 22.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.188 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 21.8 tp -51.15 -42.32 60.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 72' ' ' GLU . 84.0 mt -71.94 -50.61 27.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.448 ' HG3' ' N ' ' A' ' 72' ' ' GLU . 1.5 pp0? -35.5 -31.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.964 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 70' ' ' LEU . 6.5 tp10 -82.96 -54.79 4.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.8 mt -42.89 -50.88 5.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -51.81 -46.55 64.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 25.8 mtm180 -47.66 -30.16 3.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 72.2 m95 -90.24 -74.68 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.66 -72.78 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 152.94 -103.29 0.24 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.593 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 116.67 4.67 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.704 2.269 . . . . 0.0 112.295 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -129.69 133.73 25.39 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.633 0.73 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -174.14 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.656 2.237 . . . . 0.0 112.344 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -130.07 -52.81 1.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.097 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 27.9 m -61.77 -37.45 84.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.178 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -55.63 -49.08 73.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.456 ' CD2' ' HB3' ' A' ' 66' ' ' ARG . 6.0 tp -49.2 122.44 6.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -134.2 154.95 50.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.789 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 -90.68 121.7 32.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 35.9 mt -122.29 90.96 3.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 59.41 -167.26 8.09 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.504 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -148.69 168.71 22.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.859 0.361 . . . . 0.0 110.899 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.468 HG23 ' CG2' ' A' ' 104' ' ' VAL . 40.8 t -137.64 106.53 4.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.073 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.411 ' CG1' ' HE3' ' A' ' 99' ' ' LYS . 25.6 t -115.98 110.42 31.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.099 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 27.4 t60 -98.11 106.87 19.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.817 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 31.1 m -82.72 114.96 21.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.478 ' N ' ' O ' ' A' ' 98' ' ' ILE . 35.7 m-85 -86.81 167.73 14.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.79 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 24.0 t -40.22 -66.35 0.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.84 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -115.28 3.24 14.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.888 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.529 ' CG2' ' N ' ' A' ' 99' ' ' LYS . 22.8 mt -121.2 160.58 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.529 ' N ' ' CG2' ' A' ' 98' ' ' ILE . 0.0 OUTLIER -139.59 128.47 23.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.868 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.421 HD22 ' C ' ' A' ' 99' ' ' LYS . 3.2 mm? -113.63 144.65 42.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 29.5 m -128.54 106.58 9.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.097 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -110.05 130.08 55.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -95.46 111.48 23.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.468 ' CG2' HG23 ' A' ' 91' ' ' VAL . 60.9 t -70.28 125.46 28.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -139.46 135.9 34.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -112.13 136.51 13.57 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.527 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.48 ' C ' ' CD1' ' A' ' 107' ' ' LEU . 1.6 tm? -147.79 113.88 5.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.812 0.339 . . . . 0.0 110.993 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -130.68 144.26 51.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.06 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 43.8 mt -84.91 109.74 18.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.466 -0.134 0 CA-C-O 120.869 0.279 . . . . 0.0 112.312 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.425 ' O ' ' C ' ' A' ' 116' ' ' THR . 2.8 p -106.68 -43.5 7.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.11 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 115' ' ' VAL . 14.9 p 35.49 34.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.196 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 115' ' ' VAL . 90.3 m -165.98 120.02 1.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.182 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.473 ' CG2' ' HD2' ' A' ' 119' ' ' PRO . 8.3 p -130.56 137.53 31.01 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.596 0.712 . . . . 0.0 111.172 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 118' ' ' VAL . 53.8 Cg_endo -69.87 164.38 34.85 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.651 2.234 . . . . 0.0 112.317 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 102.8 1.06 Allowed 'Trans proline' 0 C--O 1.23 0.125 0 C-N-CA 122.697 2.264 . . . . 0.0 112.354 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 142.26 -16.67 2.52 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.476 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -106.58 165.36 11.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.759 0.314 . . . . 0.0 111.105 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 6.5 ttt180 -140.37 141.04 35.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 35.0 m95 -114.2 105.94 13.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.989 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.3 pp -126.93 169.74 12.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 16.6 p -85.39 156.52 20.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.147 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.488 ' NE2' ' OE1' ' A' ' 27' ' ' GLU . 16.0 mp0 -44.2 -53.69 6.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.954 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -53.65 -46.88 70.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -56.01 -52.97 62.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.428 ' CE1' HG23 ' A' ' 135' ' ' VAL . 29.1 t80 -38.69 -57.6 1.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.898 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -40.38 -61.32 0.93 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 22.5 p -58.55 -26.87 64.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.098 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 130' ' ' PHE . . . -63.52 144.84 56.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.082 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.62 98.94 0.4 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.139 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.428 HG23 ' CE1' ' A' ' 130' ' ' PHE . 1.1 t -132.01 144.39 37.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 8.6 p -71.9 154.36 41.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 138' ' ' ALA . 26.6 m -45.33 -60.86 1.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.091 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 137' ' ' THR . . . -37.52 -58.28 0.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.119 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' MET . . . . . 0.401 ' HB2' ' CG1' ' A' ' 135' ' ' VAL . 36.4 mmm -60.76 -51.54 68.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 11.5 mtpt -55.34 -17.45 4.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.402 ' HD2' ' CG2' ' A' ' 137' ' ' THR . 44.6 mtpt -90.37 -26.31 19.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.935 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 96.4 t -69.97 -28.75 37.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.136 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -73.14 -55.01 7.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -55.1 -22.3 15.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.836 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 25.0 t -88.37 -25.32 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.054 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -79.4 -33.62 42.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 -179.913 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.215 0 CA-C-O 120.752 0.23 . . . . 0.0 112.362 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.7 mtm180 -40.51 -51.66 2.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -91.36 100.24 13.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.956 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -148.66 113.57 5.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.4 m -120.51 144.51 48.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.7 m -157.12 151.63 25.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.812 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.47 ' HB2' ' NE2' ' A' ' 65' ' ' GLN . . . -115.37 114.46 25.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.132 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.6 t -107.32 145.45 32.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.094 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.444 ' SG ' ' N ' ' A' ' 25' ' ' VAL . 6.2 t -129.71 158.61 38.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.444 ' N ' ' SG ' ' A' ' 24' ' ' CYS . 68.9 t -108.43 117.27 53.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.137 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 29.5 tp -100.83 126.29 47.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.924 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -131.73 159.28 38.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.829 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.454 ' HG2' ' CZ3' ' A' ' 124' ' ' TRP . 6.2 pt20 -151.66 150.21 25.87 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.635 0.731 . . . . 0.0 110.912 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 125.77 12.53 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.71 2.273 . . . . 0.0 112.376 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -120.08 -177.66 16.12 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.82 -61.07 2.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.339 . . . . 0.0 111.082 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.8 mt -62.72 -40.68 97.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.41 -81.13 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -167.41 141.05 3.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.807 0.337 . . . . 0.0 111.052 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.26 163.39 24.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.4 pt -113.12 174.68 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.2 tp -105.73 150.32 25.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.405 HD13 ' C ' ' A' ' 52' ' ' GLU . 11.3 tp -141.75 133.87 27.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.975 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.3 m -115.62 139.16 43.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.503 ' HB2' ' CD2' ' A' ' 51' ' ' TRP . 7.4 tt0 -113.92 121.85 45.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 121.647 0.737 . . . . 0.0 110.832 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.864 0.364 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.542 ' CZ3' ' HD2' ' A' ' 123' ' ' ARG . 85.3 m95 -85.42 132.94 34.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.428 ' CB ' ' HG3' ' A' ' 139' ' ' MET . 3.0 pt-20 -163.14 161.52 25.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.673 ' CZ ' ' CE1' ' A' ' 130' ' ' PHE . 16.7 m-85 -61.93 144.19 93.94 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.669 0.747 . . . . 0.0 110.888 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 143.89 52.34 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.716 2.277 . . . . 0.0 112.342 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.6 p -145.19 164.21 32.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 15.0 m -124.97 -178.61 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.134 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.2 p -69.8 126.38 29.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.504 ' CH2' ' HA ' ' A' ' 60' ' ' PRO . 88.4 t90 -44.7 158.42 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.966 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -140.76 136.53 16.42 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.599 0.714 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.504 ' HA ' ' CH2' ' A' ' 58' ' ' TRP . 54.1 Cg_endo -69.67 -22.39 32.56 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.738 2.292 . . . . 0.0 112.334 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.2 t -101.54 146.71 27.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.793 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -69.04 -19.21 64.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -89.83 -51.66 5.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -48.2 -39.67 21.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.973 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.47 ' NE2' ' HB2' ' A' ' 22' ' ' ALA . 8.1 tp60 -57.11 -61.81 2.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 47.2 mtp180 -59.31 -39.03 81.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp -54.88 -70.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.48 -37.93 87.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.131 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.419 ' CB ' ' O ' ' A' ' 65' ' ' GLN . 19.9 tp -46.38 -43.45 16.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 81.9 mt -74.16 -44.88 51.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -40.8 -44.84 2.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -69.67 -53.27 19.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 27.0 mt -46.13 -47.33 17.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -53.96 -40.89 67.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.946 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 23.4 mtt-85 -53.12 -29.82 33.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 66.2 m95 -91.62 -72.45 0.59 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -75.27 -70.87 0.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.068 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 147.55 -98.77 0.19 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.488 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.65 109.46 2.3 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.686 2.258 . . . . 0.0 112.373 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -120.99 121.88 28.59 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.608 0.718 . . . . 0.0 110.934 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 170.44 16.56 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.738 2.292 . . . . 0.0 112.339 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -115.62 -40.66 3.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.126 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 73.1 p -71.49 -33.22 69.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.122 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 21.1 m170 -65.85 -29.95 70.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 18.4 tp -65.15 152.71 42.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -171.24 146.23 2.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.923 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.43 ' NE2' ' O ' ' A' ' 89' ' ' GLY . 15.7 t-80 -86.8 119.95 27.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 23.0 mt -118.31 90.21 3.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.927 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.43 ' O ' ' NE2' ' A' ' 87' ' ' HIS . . . 66.0 -164.57 39.62 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.482 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -152.34 170.81 19.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.899 0.38 . . . . 0.0 110.909 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.465 ' CG1' ' HE3' ' A' ' 141' ' ' LYS . 71.0 t -142.89 108.05 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.13 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 55.8 t -118.63 112.05 36.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.507 ' CD2' ' CE1' ' A' ' 95' ' ' PHE . 20.8 t60 -105.1 145.62 30.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 63.5 m -113.46 112.53 23.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.507 ' CE1' ' CD2' ' A' ' 93' ' ' HIS . 44.0 m-85 -99.89 -175.96 3.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.495 ' O ' ' CG ' ' A' ' 97' ' ' HIS . 4.2 m -46.49 107.22 0.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.495 ' CG ' ' O ' ' A' ' 96' ' ' SER . 24.0 p-80 45.1 31.73 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 61.3 mt -137.45 150.26 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.1 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 43.8 tttt -136.58 117.94 14.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.412 ' N ' HD23 ' A' ' 100' ' ' LEU . 3.4 mm? -104.14 154.62 19.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 17.7 m -133.05 101.24 5.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -107.98 120.19 41.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -89.14 120.08 30.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.438 ' CG2' HG21 ' A' ' 91' ' ' VAL . 73.1 t -75.86 125.82 35.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.09 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -132.94 140.42 47.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -111.62 142.99 17.24 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.5 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.536 ' C ' ' CD1' ' A' ' 107' ' ' LEU . 1.2 tm? -157.01 113.95 3.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.833 0.349 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -134.44 146.76 50.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 86.9 mt -87.66 108.56 19.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 179.851 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.791 0.246 . . . . 0.0 112.378 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.408 ' O ' ' C ' ' A' ' 116' ' ' THR . 6.6 p -113.47 -37.92 2.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.979 0.418 . . . . 0.0 111.129 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 115' ' ' VAL . 16.5 p 37.38 34.77 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.149 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 57.4 m -145.64 119.13 9.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.122 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.459 ' CG2' ' HB2' ' A' ' 122' ' ' ALA . 4.3 p -159.99 124.97 2.18 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.656 0.741 . . . . 0.0 111.095 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 169.69 18.38 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.675 2.25 . . . . 0.0 112.38 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 0.37 5.67 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.624 2.216 . . . . 0.0 112.414 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -105.05 2.65 40.88 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.464 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.459 ' HB2' ' CG2' ' A' ' 118' ' ' VAL . . . -132.49 159.95 37.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 0.0 111.089 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.542 ' HD2' ' CZ3' ' A' ' 51' ' ' TRP . 8.8 ptm180 -143.12 137.9 29.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' TRP . . . . . 0.454 ' CZ3' ' HG2' ' A' ' 28' ' ' GLN . 42.9 m95 -97.03 101.17 12.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.7 pp -116.67 167.29 11.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.91 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 6.8 p -83.61 175.2 9.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.093 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -61.99 -44.85 95.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -65.28 -42.15 93.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.02 -35.92 74.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.673 ' CE1' ' CZ ' ' A' ' 53' ' ' PHE . 34.0 t80 -60.63 -50.58 72.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.876 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -52.37 -51.11 60.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.796 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 64.5 p -68.23 -29.05 67.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.167 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -57.48 -178.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -100.01 94.27 6.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.074 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.511 HG21 ' CE1' ' A' ' 130' ' ' PHE . 1.0 OUTLIER -124.95 145.51 32.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.1 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 137' ' ' THR . 13.4 m -71.65 144.11 49.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.837 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 136' ' ' SER . 87.1 m -33.9 -65.08 0.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.044 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.419 ' HA ' ' CE ' ' A' ' 141' ' ' LYS . . . -42.04 -68.01 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.075 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' MET . . . . . 0.428 ' HG3' ' CB ' ' A' ' 52' ' ' GLU . 48.7 mmm -39.82 -55.21 2.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -50.25 -37.86 37.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.465 ' HE3' ' CG1' ' A' ' 91' ' ' VAL . 41.9 mtmt -65.62 -33.84 76.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.95 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.2 -22.86 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -80.09 -61.54 1.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.961 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -48.42 -35.66 13.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.947 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 38.4 t -71.23 -32.42 47.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.14 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -66.2 -45.74 79.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.935 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.163 0 CA-C-O 120.73 0.221 . . . . 0.0 112.281 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 16' ' ' PRO . 36.5 mtp180 -35.06 -47.75 0.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -100.89 100.22 10.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.925 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -138.41 113.49 9.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.831 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.411 ' C ' ' HB2' ' A' ' 58' ' ' TRP . 25.2 m -117.13 139.44 50.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.849 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.2 m -154.8 152.08 29.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -119.74 112.2 18.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.096 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.8 t -104.2 146.52 28.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 53.2 t -123.0 160.29 26.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 67.0 t -114.97 103.48 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.146 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 41.4 tp -89.26 122.01 32.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.817 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -124.32 152.9 42.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -149.81 145.67 19.33 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.554 0.692 . . . . 0.0 110.903 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 131.34 21.01 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.67 2.247 . . . . 0.0 112.292 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -125.27 -168.86 12.82 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.522 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.48 -47.87 79.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.835 0.35 . . . . 0.0 111.119 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.4 mt -69.07 -42.89 75.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.32 -55.76 0.18 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.518 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -157.47 169.13 25.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.779 0.323 . . . . 0.0 111.061 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -162.3 129.63 3.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.937 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.4 pt -96.54 174.24 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.3 tp -108.66 145.62 34.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.42 ' CD2' ' HB3' ' A' ' 51' ' ' TRP . 8.8 tp -143.12 127.32 17.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.521 HG12 ' CE3' ' A' ' 76' ' ' TRP . 18.2 m -104.61 159.49 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.093 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -102.56 155.76 18.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.6 mtp85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 121.566 0.698 . . . . 0.0 110.871 -179.91 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.847 0.356 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.42 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 84.9 m95 -103.32 125.94 50.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.439 ' N ' ' CD ' ' A' ' 52' ' ' GLU . 1.1 pm0 -152.15 165.48 34.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.924 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.778 ' CZ ' ' CE1' ' A' ' 130' ' ' PHE . 12.8 m-85 -64.88 146.79 98.66 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.71 0.767 . . . . 0.0 110.843 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 143.22 50.14 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.692 2.262 . . . . 0.0 112.403 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.6 p -145.37 174.28 11.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.3 m -133.54 -176.32 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.4 p -70.94 125.41 26.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.185 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.428 ' CH2' ' HA ' ' A' ' 60' ' ' PRO . 79.8 t90 -44.09 158.71 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -138.86 134.43 17.04 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.644 0.735 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.428 ' HA ' ' CH2' ' A' ' 58' ' ' TRP . 53.7 Cg_endo -69.89 -20.53 34.08 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.742 2.295 . . . . 0.0 112.34 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.3 t -97.1 161.37 13.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -79.48 -28.54 41.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 27.8 tp60 -85.55 -60.65 1.97 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.3 mp -37.51 -41.84 0.48 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -54.94 -51.37 66.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.96 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 38.4 mtt180 -68.72 -46.26 69.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.7 mtmt -50.05 -62.66 1.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.46 -43.31 94.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.137 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.6 tp -42.83 -48.24 5.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.973 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 71' ' ' GLN . 86.7 mt -72.22 -46.87 54.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 70' ' ' LEU . 23.0 mt-30 -36.99 -35.97 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -81.97 -53.8 5.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 22.4 mt -41.97 -48.94 4.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -53.32 -39.23 63.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -55.53 -29.51 59.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.799 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.521 ' CE3' HG12 ' A' ' 39' ' ' VAL . 77.4 m95 -89.93 -70.34 0.67 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.459 ' HB3' ' CG2' ' A' ' 115' ' ' VAL . . . -79.12 -72.26 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.081 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 149.81 -100.48 0.21 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 108.37 2.08 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.712 2.275 . . . . 0.0 112.307 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -120.56 135.27 24.49 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.544 0.688 . . . . 0.0 110.959 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 -175.66 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.633 2.222 . . . . 0.0 112.347 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -128.22 -73.67 0.59 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.1 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -50.42 -38.06 41.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.166 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -51.22 -44.71 61.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.451 ' HG ' ' N ' ' A' ' 86' ' ' ARG . 16.8 tp -55.41 154.93 5.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.965 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.451 ' N ' ' HG ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -170.85 155.13 4.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.885 179.899 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -87.85 123.72 32.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.9 mt -128.36 93.07 3.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 65.77 -175.88 16.59 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.461 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.86 171.09 15.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.946 0.403 . . . . 0.0 110.846 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 38.3 t -140.72 109.06 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.464 ' CG1' ' HD3' ' A' ' 99' ' ' LYS . 53.5 t -120.23 114.25 43.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 39.0 t60 -102.76 145.35 29.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -110.76 105.0 13.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -79.75 -179.02 6.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 46.8 t -45.41 -63.72 0.89 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.53 ' CD2' HG13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -130.32 24.09 5.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.864 179.908 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.53 HG13 ' CD2' ' A' ' 97' ' ' HIS . 35.9 mt -136.37 143.75 34.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.464 ' HD3' ' CG1' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -120.59 108.28 13.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 179.854 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.475 ' N ' HD23 ' A' ' 100' ' ' LEU . 4.1 mm? -91.24 149.69 21.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.985 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 57.0 m -132.49 105.58 7.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.132 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -109.74 128.88 55.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.954 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 -95.49 119.66 34.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 57.4 t -74.01 127.42 35.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -136.99 127.32 26.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -106.58 137.17 13.75 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.378 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.509 ' C ' ' CD1' ' A' ' 107' ' ' LEU . 1.7 tm? -155.59 108.72 2.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.79 0.328 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -127.96 147.6 50.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.101 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 94.0 mt -88.59 108.41 19.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.918 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.465 -0.177 0 CA-C-O 120.863 0.276 . . . . 0.0 112.337 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.459 ' CG2' ' HB3' ' A' ' 77' ' ' ALA . 7.7 p -114.43 -40.95 3.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 115' ' ' VAL . 11.3 p 33.71 42.13 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.216 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 22.9 m -157.82 124.38 4.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.074 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.469 ' CG2' ' HD2' ' A' ' 119' ' ' PRO . 9.7 p -168.0 136.17 1.9 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.576 0.703 . . . . 0.0 111.161 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.469 ' HD2' ' CG2' ' A' ' 118' ' ' VAL . 54.1 Cg_endo -69.72 167.42 24.43 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.66 2.24 . . . . 0.0 112.383 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 -0.8 7.41 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.731 2.288 . . . . 0.0 112.386 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -101.4 4.28 54.54 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.498 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.419 ' HB3' ' CE3' ' A' ' 76' ' ' TRP . . . -134.52 165.96 24.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.803 0.335 . . . . 0.0 111.11 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -149.31 149.24 30.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 33.0 m95 -107.22 105.23 15.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.94 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.6 pp -120.92 169.82 10.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.943 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 6.0 p -88.07 173.2 9.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.144 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -58.9 -45.81 89.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.977 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -64.59 -33.36 75.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -73.34 -32.99 64.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.778 ' CE1' ' CZ ' ' A' ' 53' ' ' PHE . 9.3 t80 -61.8 -46.0 91.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -61.11 -40.89 95.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 80.4 p -72.29 -24.59 61.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.203 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -66.3 169.7 6.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.018 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -87.91 97.56 11.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.414 ' CG1' ' HB2' ' A' ' 139' ' ' MET . 1.0 OUTLIER -127.61 144.96 35.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.103 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 137' ' ' THR . 77.4 p -78.43 143.74 36.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.802 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.43 ' C ' ' O ' ' A' ' 136' ' ' SER . 4.0 m -34.99 -62.19 0.38 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.143 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 137' ' ' THR . . . -35.32 -57.89 0.58 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.129 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' MET . . . . . 0.414 ' HB2' ' CG1' ' A' ' 135' ' ' VAL . 22.9 mmm -65.09 -47.43 77.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -54.89 -18.86 5.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -89.37 -23.02 22.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 63.7 t -76.93 -13.14 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.152 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.551 ' CE2' ' NE2' ' A' ' 147' ' ' GLN . 84.7 t80 -84.41 -51.11 7.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 28.7 ptt85 -62.7 -23.64 67.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.867 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 55.8 t -79.54 -21.24 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.088 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -83.97 -39.02 20.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . 0.551 ' NE2' ' CE2' ' A' ' 143' ' ' PHE . 56.4 mt-30 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.926 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 17' ' ' ARG . 54.2 Cg_endo . . . . . 0 N--CA 1.465 -0.151 0 CA-C-O 120.792 0.246 . . . . 0.0 112.341 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.439 ' CD ' ' O ' ' A' ' 97' ' ' HIS . 6.4 mmm180 -36.4 -68.99 0.12 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -76.74 100.2 5.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -146.19 113.49 6.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 75.7 m -127.37 147.07 50.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 72.3 m -154.89 162.25 41.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.525 ' CB ' ' CD ' ' A' ' 65' ' ' GLN . . . -124.43 113.1 17.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.04 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.421 ' CG2' HG12 ' A' ' 142' ' ' VAL . 15.1 t -104.47 152.98 21.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.091 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.1 t -133.92 145.45 49.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 78.7 t -100.5 113.8 37.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.169 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.2 tp -100.78 124.27 46.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -130.19 155.62 45.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.405 ' CD ' HD13 ' A' ' 109' ' ' LEU . 46.0 mt-30 -144.44 147.65 37.45 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.546 0.689 . . . . 0.0 110.932 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 120.21 7.03 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.633 2.222 . . . . 0.0 112.355 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -111.24 150.9 17.88 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.467 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -38.45 -56.89 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.762 0.315 . . . . 0.0 111.091 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 32.1 mt -63.05 -48.19 79.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.62 -83.15 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.483 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -168.13 158.99 10.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.792 0.329 . . . . 0.0 111.119 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -152.9 156.67 39.38 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.5 pt -109.27 173.57 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.173 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.9 tp -106.49 148.66 27.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.96 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.521 ' CD1' ' CD1' ' A' ' 53' ' ' PHE . 9.1 tp -146.22 131.42 18.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.463 HG13 ' CD2' ' A' ' 76' ' ' TRP . 34.1 m -111.88 155.03 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.052 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -107.96 125.4 51.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 121.602 0.715 . . . . 0.0 110.85 -179.926 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.435 ' N ' HD21 ' A' ' 50' ' ' LEU . 3.2 mm? . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.833 0.349 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.453 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 87.4 m95 -76.25 142.52 41.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.904 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -170.96 160.88 6.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.521 ' CD1' ' CD1' ' A' ' 38' ' ' LEU . 14.8 m-85 -64.37 147.62 97.0 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.658 0.742 . . . . 0.0 110.891 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 142.55 48.39 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.713 2.276 . . . . 0.0 112.415 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 84.4 p -146.49 168.86 20.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.849 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.7 m -128.94 171.06 17.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.19 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.8 t -54.13 152.82 5.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 87.6 t90 -70.23 142.45 52.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -130.48 132.15 23.81 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.66 0.743 . . . . 0.0 110.947 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -25.34 28.53 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.66 2.24 . . . . 0.0 112.315 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.1 t -93.1 129.65 39.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.869 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -54.26 -26.99 32.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -83.32 -61.37 1.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.5 mp -41.56 -39.2 1.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.525 ' CD ' ' CB ' ' A' ' 22' ' ' ALA . 2.9 tp-100 -59.71 -57.31 13.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 70.4 mtm180 -60.03 -40.76 90.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.2 mtpt -51.17 -51.56 52.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 70' ' ' LEU . . . -73.62 -51.96 15.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 68' ' ' ALA . 65.8 tp -34.28 -35.2 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 68' ' ' ALA . 91.8 mt -87.81 -45.3 10.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.964 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 68' ' ' ALA . 5.9 pt20 -46.33 -23.04 0.3 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -92.5 -52.58 4.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.8 mt -45.81 -44.49 14.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.969 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -55.39 -38.7 69.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.943 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -51.46 -30.16 18.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.804 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.463 ' CD2' HG13 ' A' ' 39' ' ' VAL . 63.4 m95 -92.36 -71.47 0.64 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.976 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.423 ' CB ' HG22 ' A' ' 115' ' ' VAL . . . -75.15 -73.73 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.082 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 150.46 -100.9 0.21 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.514 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 114.17 3.61 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.702 2.268 . . . . 0.0 112.417 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -128.96 136.19 28.8 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.61 0.719 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -179.91 3.24 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.776 2.317 . . . . 0.0 112.298 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -125.19 -56.37 1.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 41.4 p -64.12 -40.27 95.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.092 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -49.57 -39.31 34.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.1 tp -54.62 120.39 6.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.1 tpp85 -127.4 142.74 51.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 21.8 t-80 -81.78 124.28 29.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 38.2 mt -128.03 92.17 3.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.935 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 57.63 -175.43 1.88 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.462 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -141.06 170.59 15.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.944 0.402 . . . . 0.0 110.839 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.4 HG23 ' CG2' ' A' ' 104' ' ' VAL . 44.4 t -135.32 119.54 26.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 44.8 t -134.19 107.19 9.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -99.24 123.52 43.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 24.5 m -92.41 109.6 20.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -83.64 -175.92 6.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 30.7 t -49.79 -72.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.439 ' O ' ' CD ' ' A' ' 17' ' ' ARG . 13.9 p-80 -118.82 29.03 7.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.855 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.419 HG13 ' C ' ' A' ' 97' ' ' HIS . 23.1 mt -142.53 149.6 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.087 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -132.06 121.45 23.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -106.59 154.12 21.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 91.8 m -135.01 103.92 5.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.119 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -105.78 136.41 45.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -104.03 114.94 29.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.4 ' CG2' HG23 ' A' ' 91' ' ' VAL . 85.1 t -72.81 126.38 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -139.52 113.11 8.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -86.0 145.3 20.64 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.469 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.431 ' C ' ' CD1' ' A' ' 107' ' ' LEU . 2.3 tm? -156.97 114.95 3.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.788 0.327 . . . . 0.0 110.993 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -131.43 153.05 50.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.102 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.405 HD13 ' CD ' ' A' ' 28' ' ' GLN . 71.7 mt -95.75 108.3 20.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.466 -0.119 0 CA-C-O 120.803 0.251 . . . . 0.0 112.358 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.48 ' O ' ' N ' ' A' ' 117' ' ' THR . 2.4 p -102.67 -40.15 6.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.16 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 17.1 p 38.87 26.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.48 ' N ' ' O ' ' A' ' 115' ' ' VAL . 18.3 m -136.6 125.98 24.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.09 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.47 ' O ' ' CG1' ' A' ' 118' ' ' VAL . 4.5 p -165.71 119.51 0.91 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.617 0.723 . . . . 0.0 111.165 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 170.1 17.28 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.706 2.271 . . . . 0.0 112.365 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 3.07 2.98 Favored 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.76 2.307 . . . . 0.0 112.309 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -105.41 2.51 39.89 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.513 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.406 ' HB3' ' CG2' ' A' ' 118' ' ' VAL . . . -129.06 168.54 15.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.813 0.34 . . . . 0.0 111.063 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -151.46 134.9 16.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 38.0 m95 -102.18 111.01 23.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.439 ' HB2' ' CB ' ' A' ' 129' ' ' GLU . 1.3 pp -125.58 169.26 12.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.88 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 7.3 p -85.55 175.19 8.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.093 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 16.7 mp0 -61.69 -41.56 97.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.966 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -74.84 -24.08 58.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.439 ' CB ' ' HB2' ' A' ' 125' ' ' LEU . 20.5 mt-10 -73.24 -39.53 65.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.501 ' CE2' ' CZ ' ' A' ' 53' ' ' PHE . 3.8 t80 -62.97 -47.86 81.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . 0.419 ' CE1' ' CE2' ' A' ' 143' ' ' PHE . 11.1 m-70 -43.46 -62.14 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.812 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 36.3 p -61.75 -29.07 69.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.115 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -56.75 152.65 11.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.098 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.73 99.9 6.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.409 HG22 ' CE2' ' A' ' 130' ' ' PHE . 2.3 t -126.67 147.58 31.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.117 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 137' ' ' THR . 34.5 t -68.77 138.92 55.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 136' ' ' SER . 91.4 m -33.95 -65.86 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.136 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 137' ' ' THR . . . -36.75 -69.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' MET . . . . . 0.411 ' O ' ' N ' ' A' ' 142' ' ' VAL . 36.0 mmm -42.59 -59.4 1.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? -43.99 -38.59 3.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.927 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -67.55 -34.0 76.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.888 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.421 HG12 ' CG2' ' A' ' 23' ' ' THR . 90.2 t -64.53 -19.74 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.052 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.419 ' CE2' ' CE1' ' A' ' 131' ' ' HIS . 64.8 t80 -81.72 -55.58 4.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -55.6 -17.89 6.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.787 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 40.8 t -87.08 -36.45 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.143 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -68.42 -32.1 71.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.962 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.873 179.974 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.773 0.239 . . . . 0.0 112.305 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 16' ' ' PRO . 87.8 mtt180 -34.06 -59.5 0.42 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -95.18 100.23 12.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.899 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -140.58 113.54 8.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.838 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.4 ' HB2' ' CB ' ' A' ' 58' ' ' TRP . 7.1 m -120.31 140.04 51.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.897 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 73.8 m -156.93 155.38 31.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.889 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.544 ' CB ' ' CD ' ' A' ' 65' ' ' GLN . . . -116.83 118.0 31.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.063 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.1 t -109.3 150.2 28.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.064 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.3 t -135.19 144.67 47.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 93.4 t -95.16 121.92 46.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.161 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.1 tp -104.26 114.5 28.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -120.96 157.29 30.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -145.92 129.12 8.25 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.639 0.733 . . . . 0.0 110.944 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 116.88 4.77 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.653 2.235 . . . . 0.0 112.351 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 31' ' ' ALA . . . -129.78 164.2 22.6 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.505 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 30' ' ' GLY . . . -36.52 -63.79 0.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.366 . . . . 0.0 111.099 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.1 mt -43.33 -42.33 4.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 153.3 -67.94 0.31 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.526 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.72 146.37 13.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.797 0.332 . . . . 0.0 111.09 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -149.68 131.51 15.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.937 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.6 pt -101.57 175.6 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.1 tp -106.69 149.04 27.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.431 HD12 ' CE1' ' A' ' 53' ' ' PHE . 10.6 tp -145.54 124.27 12.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.508 HG12 ' CD2' ' A' ' 76' ' ' TRP . 35.5 m -103.65 150.12 7.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.528 ' HB2' ' CE3' ' A' ' 51' ' ' TRP . 40.4 tt0 -98.95 160.31 14.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.0 mtt-85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 121.611 0.72 . . . . 0.0 110.841 -179.941 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.402 ' N ' HD21 ' A' ' 50' ' ' LEU . 3.2 mm? . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.835 0.35 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.528 ' CE3' ' HB2' ' A' ' 40' ' ' GLN . 77.1 m95 -90.11 141.02 29.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.973 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -165.8 152.25 9.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.854 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.431 ' CE1' HD12 ' A' ' 38' ' ' LEU . 21.7 m-85 -54.53 146.71 32.75 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.677 0.751 . . . . 0.0 110.857 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.443 ' CG ' HD23 ' A' ' 73' ' ' LEU . 54.2 Cg_endo -69.72 141.77 46.29 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.683 2.255 . . . . 0.0 112.413 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.8 p -146.57 158.03 43.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.85 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.433 ' CG2' ' HA ' ' A' ' 69' ' ' LEU . 16.9 m -119.18 179.73 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.196 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.2 t -62.6 150.62 40.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.161 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.4 ' CB ' ' HB2' ' A' ' 20' ' ' SER . 89.9 t90 -67.96 147.9 51.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -133.31 133.36 22.77 Favored Pre-proline 0 C--N 1.331 -0.218 0 CA-C-O 121.665 0.745 . . . . 0.0 110.828 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -24.27 29.64 Favored 'Trans proline' 0 N--CA 1.465 -0.198 0 C-N-CA 122.748 2.299 . . . . 0.0 112.316 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.2 t -100.04 128.49 46.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.873 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.74 -38.31 15.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 64' ' ' LEU . 31.0 tt0 -71.03 -66.35 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.961 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 63' ' ' GLN . 5.5 mp -36.04 -41.9 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.544 ' CD ' ' CB ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -58.59 -52.32 66.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.903 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 41.6 mtt180 -65.27 -46.68 79.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.9 mtpt -47.37 -56.63 6.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' A' ' 70' ' ' LEU . . . -72.85 -52.06 16.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.055 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 68' ' ' ALA . 17.5 tp -34.59 -32.39 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' A' ' 68' ' ' ALA . 90.0 mt -86.97 -42.89 12.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.953 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 68' ' ' ALA . 5.5 pt20 -44.32 -30.6 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -82.33 -55.62 4.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.443 HD23 ' CG ' ' A' ' 54' ' ' PRO . 18.1 mt -46.66 -47.06 20.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -53.02 -35.19 59.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -56.65 -33.62 66.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.508 ' CD2' HG12 ' A' ' 39' ' ' VAL . 67.1 m95 -86.72 -71.63 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.469 ' HB3' ' CG2' ' A' ' 115' ' ' VAL . . . -74.74 -71.44 0.35 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.125 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 146.93 -100.25 0.22 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.515 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 107.8 1.94 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.726 2.284 . . . . 0.0 112.337 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -118.6 139.84 27.55 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.589 0.709 . . . . 0.0 110.918 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.466 ' HG2' ' CD2' ' A' ' 107' ' ' LEU . 52.9 Cg_endo -69.75 -173.6 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.7 2.267 . . . . 0.0 112.352 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -134.64 -54.94 0.83 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.145 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 21.2 p -64.64 -55.59 19.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.151 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -39.51 -42.02 1.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 29.2 tp -53.28 127.94 26.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.953 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -141.72 156.93 45.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.407 ' HB2' ' CE1' ' A' ' 105' ' ' TYR . 18.7 t-80 -93.91 126.84 39.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.0 mt -127.99 93.78 3.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 60.69 -166.65 11.83 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.456 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.84 170.54 19.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.907 0.384 . . . . 0.0 110.895 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.451 HG23 ' CG2' ' A' ' 104' ' ' VAL . 71.7 t -140.96 105.19 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 53.3 t -115.3 103.58 15.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.129 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -99.98 138.38 37.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 54.2 m -108.43 104.58 13.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.179 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -85.54 -175.4 5.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.548 ' O ' ' CG ' ' A' ' 97' ' ' HIS . 2.2 m -48.75 109.7 0.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.548 ' CG ' ' O ' ' A' ' 96' ' ' SER . 21.6 p-80 46.44 31.75 1.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 38.8 mt -141.32 151.06 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -133.44 119.12 19.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -107.71 142.81 37.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 63.8 m -124.37 103.92 8.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.175 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -106.38 130.93 54.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -95.46 113.11 24.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.451 ' CG2' HG23 ' A' ' 91' ' ' VAL . 75.5 t -71.12 123.59 25.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.133 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.407 ' CE1' ' HB2' ' A' ' 87' ' ' HIS . 34.5 m-85 -136.23 133.38 36.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.006 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -109.23 140.6 15.73 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.498 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.466 ' CD2' ' HG2' ' A' ' 81' ' ' PRO . 1.9 tm? -157.47 112.41 2.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.865 0.364 . . . . 0.0 110.904 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -132.44 140.07 48.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.048 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 70.9 mt -80.67 102.75 10.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.949 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.466 -0.089 0 CA-C-O 120.888 0.286 . . . . 0.0 112.248 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.469 ' CG2' ' HB3' ' A' ' 77' ' ' ALA . 7.9 p -99.42 -45.79 12.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.4 ' N ' HG11 ' A' ' 115' ' ' VAL . 34.9 p 44.3 29.0 0.33 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.111 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 32.3 m -142.8 137.81 29.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.476 ' O ' ' CG1' ' A' ' 118' ' ' VAL . 4.2 p -174.3 119.2 0.35 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.567 0.698 . . . . 0.0 111.177 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 170.28 16.94 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.662 2.241 . . . . 0.0 112.316 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 3.36 2.84 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.618 2.212 . . . . 0.0 112.402 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -103.91 -2.79 45.88 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.556 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -124.4 170.55 10.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.73 0.3 . . . . 0.0 111.167 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.42 ' HB2' ' NH1' ' A' ' 123' ' ' ARG . 1.1 ptm85 -151.94 134.96 15.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.84 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 21.4 m95 -102.73 106.91 17.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.934 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 pp -125.38 169.85 11.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.938 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 7.7 p -90.7 160.91 15.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -46.73 -48.47 20.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -56.71 -47.99 78.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -59.76 -42.18 92.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.522 ' CE1' HG21 ' A' ' 135' ' ' VAL . 48.3 t80 -53.86 -50.24 66.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.84 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 33.5 m-70 -49.22 -51.04 35.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 71.9 p -70.56 -18.06 62.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -69.95 147.54 50.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.129 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -71.76 96.75 1.66 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.522 HG21 ' CE1' ' A' ' 130' ' ' PHE . 1.9 t -130.31 145.78 35.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 13.7 p -69.47 151.57 45.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 18.5 m -46.23 -56.3 5.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -39.78 -62.12 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 28.2 mmm -59.59 -50.42 73.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . 0.408 ' CG ' ' HB ' ' A' ' 135' ' ' VAL . 12.1 mtpt -53.2 -21.22 4.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 31.0 mttp -86.19 -27.72 24.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 84.4 t -66.2 -20.8 27.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.114 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.423 ' CE2' ' NE2' ' A' ' 147' ' ' GLN . 68.0 t80 -77.02 -59.14 2.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -51.68 -31.07 24.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.83 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 95.6 t -77.25 -30.76 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.093 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -72.99 -34.55 66.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . 0.423 ' NE2' ' CE2' ' A' ' 143' ' ' PHE . 27.7 mt-30 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.838 0.266 . . . . 0.0 112.348 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 16' ' ' PRO . 39.7 mtt180 -37.9 -63.77 0.45 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -79.08 100.29 7.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.798 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -146.62 113.44 6.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.94 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.3 m -123.3 142.91 50.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.3 m -150.3 157.31 42.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.804 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.418 ' HB2' ' NE2' ' A' ' 65' ' ' GLN . . . -123.37 107.38 11.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.096 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.5 t -104.4 147.52 27.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.147 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 43.1 t -130.94 153.26 49.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 98.0 t -101.31 125.72 55.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.107 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 47.2 tp -107.46 106.64 17.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.44 ' OE2' ' C ' ' A' ' 35' ' ' GLN . 3.1 tp10 -118.09 143.64 46.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.514 ' HG2' ' CZ3' ' A' ' 124' ' ' TRP . 1.3 pt20 -149.56 141.04 14.65 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.571 0.7 . . . . 0.0 110.915 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 132.32 22.95 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.62 2.214 . . . . 0.0 112.298 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -107.69 -138.42 8.69 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.464 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.85 -51.59 6.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.848 0.356 . . . . 0.0 111.119 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.1 mt -79.24 -40.56 30.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -164.67 -93.2 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.493 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -156.22 159.47 38.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.725 0.298 . . . . 0.0 111.131 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.44 ' C ' ' OE2' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -150.38 146.36 26.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.409 HG22 ' CD ' ' A' ' 27' ' ' GLU . 3.4 pt -98.47 176.78 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.452 ' HB2' ' CE2' ' A' ' 124' ' ' TRP . 11.8 tp -109.47 147.61 32.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.418 HD13 ' C ' ' A' ' 52' ' ' GLU . 9.9 tp -142.57 122.32 13.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 31.3 m -106.48 158.89 6.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.095 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -124.34 122.4 37.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.404 ' NH1' ' HG3' ' A' ' 52' ' ' GLU . 9.1 mpt_? . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.654 0.74 . . . . 0.0 110.864 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.874 0.368 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.487 ' CZ3' ' HG2' ' A' ' 123' ' ' ARG . 86.1 m95 -71.95 133.95 45.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.904 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.418 ' C ' HD13 ' A' ' 38' ' ' LEU . 3.6 pt-20 -170.3 165.69 8.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.689 ' CZ ' ' CE1' ' A' ' 130' ' ' PHE . 19.6 m-85 -70.12 148.19 95.87 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.618 0.723 . . . . 0.0 110.816 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 142.59 48.21 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.633 2.222 . . . . 0.0 112.338 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.1 p -144.23 159.17 43.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.9 m -124.51 176.55 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 21.3 p -61.43 144.03 54.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.163 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 86.7 t90 -63.54 141.81 58.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -124.11 135.04 25.91 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.588 0.708 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -28.57 25.22 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.628 2.219 . . . . 0.0 112.369 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.1 t -92.51 151.65 20.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -70.49 -30.07 66.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 47.0 tp60 -81.7 -61.28 1.97 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.424 ' CD1' ' N ' ' A' ' 64' ' ' LEU . 1.0 OUTLIER -39.19 -41.99 0.92 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.957 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.418 ' NE2' ' HB2' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -55.24 -52.01 64.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.889 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.3 mtp180 -68.06 -49.19 62.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -45.69 -57.6 4.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.924 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.75 -49.32 47.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.1 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 31.6 tp -40.77 -45.25 2.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 86.1 mt -69.76 -51.11 36.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.843 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.402 ' HA ' ' NE2' ' A' ' 74' ' ' GLN . 20.3 mm-40 -36.94 -42.02 0.37 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -69.06 -55.91 9.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 37.4 mt -45.55 -47.39 14.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.402 ' NE2' ' HA ' ' A' ' 71' ' ' GLN . 37.9 mt-30 -52.8 -43.41 65.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 64.9 mtp180 -51.36 -34.11 32.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 82.2 m95 -87.08 -70.91 0.58 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -77.98 -71.67 0.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 147.18 -99.04 0.2 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.559 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 108.25 2.03 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.67 2.247 . . . . 0.0 112.338 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -120.66 133.24 24.03 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.599 0.714 . . . . 0.0 110.932 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 174.6 9.3 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.668 2.245 . . . . 0.0 112.369 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -118.57 -52.63 2.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.094 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 85.3 m -66.2 -49.79 66.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.166 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -41.56 -43.74 2.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.824 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 37.3 tp -52.08 134.42 32.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 56.7 mtt180 -154.97 136.91 14.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.465 ' HB2' ' CE1' ' A' ' 105' ' ' TYR . 16.6 t-80 -75.31 124.09 26.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.817 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 40.8 mt -128.42 91.85 3.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 74.74 -172.78 52.62 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.51 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -150.12 170.93 17.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.845 0.355 . . . . 0.0 110.902 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.454 HG21 ' CG2' ' A' ' 104' ' ' VAL . 75.2 t -139.14 106.15 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.178 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 73.2 t -120.7 102.61 12.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.134 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 58.2 t60 -98.18 108.54 21.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.853 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 38.3 m -81.52 108.05 14.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.151 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -82.68 178.23 8.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.861 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 12.8 t -48.96 -69.46 0.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.535 ' CD2' HG13 ' A' ' 98' ' ' ILE . 0.4 OUTLIER -118.0 29.69 7.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.535 HG13 ' CD2' ' A' ' 97' ' ' HIS . 63.9 mt -146.8 144.58 20.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.434 ' N ' HG23 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -127.83 116.52 20.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.877 179.825 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.47 HD22 ' N ' ' A' ' 100' ' ' LEU . 4.1 mm? -103.51 146.16 28.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 94.1 m -132.48 97.66 4.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.085 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -98.83 144.77 27.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -106.46 115.35 30.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.95 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.454 ' CG2' HG21 ' A' ' 91' ' ' VAL . 84.2 t -74.69 124.39 32.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.2 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.465 ' CE1' ' HB2' ' A' ' 87' ' ' HIS . 42.4 m-85 -131.89 134.92 46.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.963 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -109.72 131.79 10.68 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.466 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.419 ' C ' HD12 ' A' ' 107' ' ' LEU . 1.4 tm? -147.6 119.96 8.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.814 0.34 . . . . 0.0 110.956 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -137.97 150.91 47.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 57.6 mt -93.52 103.05 15.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.935 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.159 0 CA-C-O 120.814 0.256 . . . . 0.0 112.36 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.7 p -96.86 -42.49 11.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 30.6 p 43.52 31.34 0.42 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.138 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 24.4 m -143.71 129.96 19.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.417 ' CG2' ' HB2' ' A' ' 122' ' ' ALA . 8.1 p -171.93 127.7 0.6 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.681 0.753 . . . . 0.0 111.075 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 169.75 18.2 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.754 2.303 . . . . 0.0 112.306 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 2.65 3.35 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.67 2.246 . . . . 0.0 112.311 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -109.01 15.08 33.83 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.512 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.417 ' HB2' ' CG2' ' A' ' 118' ' ' VAL . . . -138.73 169.94 16.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.737 0.303 . . . . 0.0 111.117 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.487 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 10.9 ptm180 -151.98 141.53 21.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' TRP . . . . . 0.514 ' CZ3' ' HG2' ' A' ' 28' ' ' GLN . 29.3 m95 -107.91 109.74 21.33 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.416 HD13 ' C ' ' A' ' 125' ' ' LEU . 0.9 OUTLIER -124.83 169.81 11.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 18.5 p -80.39 170.74 15.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -53.74 -54.69 34.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -57.51 -53.53 57.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -42.08 -46.33 4.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.689 ' CE1' ' CZ ' ' A' ' 53' ' ' PHE . 15.6 t80 -53.23 -53.76 45.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.849 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -43.2 -57.29 3.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 23.4 p -62.14 -50.92 69.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.138 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -36.48 153.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.104 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -71.9 99.21 2.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.083 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.444 ' HB ' ' CG ' ' A' ' 140' ' ' LYS . 3.4 t -130.03 138.76 53.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.159 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 48.4 p -66.76 156.25 35.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 24.9 m -48.0 -57.48 5.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.08 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -43.0 -70.3 0.11 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.082 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' MET . . . . . 0.408 ' HB2' ' CG1' ' A' ' 135' ' ' VAL . 32.0 mmm -49.8 -48.51 50.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . 0.444 ' CG ' ' HB ' ' A' ' 135' ' ' VAL . 57.4 mttt -52.26 -31.95 34.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 33.7 mtpt -74.09 -43.17 58.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.948 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 60.4 t -50.73 -27.64 5.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -73.19 -70.75 0.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -43.27 -33.74 1.03 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 72.0 t -70.22 -39.38 76.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.068 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -72.69 -42.01 64.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.961 -179.974 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.156 0 CA-C-O 120.868 0.278 . . . . 0.0 112.33 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -38.73 -65.35 0.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -85.85 100.33 11.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -143.51 113.46 7.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.0 m -121.91 144.78 48.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.5 m -148.98 158.22 44.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.418 ' HB2' ' CD ' ' A' ' 65' ' ' GLN . . . -113.25 113.02 24.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.071 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.3 t -108.99 146.29 34.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.17 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.429 ' SG ' ' N ' ' A' ' 25' ' ' VAL . 1.6 t -131.99 156.77 45.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.429 ' N ' ' SG ' ' A' ' 24' ' ' CYS . 47.1 t -107.89 99.65 9.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.141 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.1 tp -86.4 110.26 19.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.424 ' HG2' ' N ' ' A' ' 28' ' ' GLN . 22.9 tt0 -122.55 151.37 41.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.448 ' NE2' ' HA ' ' A' ' 114' ' ' PRO . 9.6 tt0 -140.28 138.24 18.88 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.601 0.715 . . . . 0.0 110.945 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 125.42 12.12 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.728 2.285 . . . . 0.0 112.339 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -113.6 -97.85 2.28 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.447 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -127.95 -73.2 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.837 0.351 . . . . 0.0 111.117 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.5 mt -57.24 -39.71 76.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.923 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -167.39 -80.91 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.511 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -166.92 166.37 15.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.749 0.309 . . . . 0.0 111.094 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -136.28 138.0 41.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.4 pt -103.83 172.8 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.5 tp -108.3 140.14 41.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.411 HD13 ' C ' ' A' ' 52' ' ' GLU . 10.4 tp -137.34 125.6 23.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.505 HG12 ' CD2' ' A' ' 76' ' ' TRP . 34.9 m -111.38 131.76 61.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.404 ' HB2' ' CZ3' ' A' ' 51' ' ' TRP . 29.9 tt0 -71.21 160.05 33.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 121.563 0.697 . . . . 0.0 110.869 -179.947 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 134' ' ' ALA . 3.5 mm? . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.794 0.33 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.404 ' CZ3' ' HB2' ' A' ' 40' ' ' GLN . 82.4 m95 -88.85 133.21 34.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.411 ' C ' HD13 ' A' ' 38' ' ' LEU . 5.6 pt-20 -160.7 157.7 27.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.614 ' CZ ' ' CE2' ' A' ' 130' ' ' PHE . 15.8 m-85 -56.25 146.31 52.62 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.636 0.731 . . . . 0.0 110.903 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 143.99 52.45 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.724 2.283 . . . . 0.0 112.304 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.2 p -145.68 160.85 41.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.9 m -124.37 175.97 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.143 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.7 p -58.88 135.5 57.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.47 ' CG ' ' N ' ' A' ' 59' ' ' GLU . 80.2 t90 -60.54 165.62 3.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.862 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.47 ' N ' ' CG ' ' A' ' 58' ' ' TRP . 5.9 mm-40 -148.69 139.69 13.75 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.715 0.769 . . . . 0.0 110.825 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -17.47 37.72 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.625 2.217 . . . . 0.0 112.37 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.4 t -103.94 155.47 18.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -78.54 -23.77 46.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -86.68 -48.58 8.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.3 mp -55.99 -34.2 65.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.418 ' CD ' ' HB2' ' A' ' 22' ' ' ALA . 8.4 tp60 -61.02 -54.56 43.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 57.1 mtp180 -63.33 -38.71 92.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.861 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.2 mtmt -49.87 -65.28 0.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.942 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.76 -37.24 86.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 22.5 tp -44.13 -60.93 1.66 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 71' ' ' GLN . 86.0 mt -62.83 -48.4 79.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 70' ' ' LEU . 35.8 mm-40 -35.19 -38.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.941 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -79.51 -54.09 6.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 30.7 mt -42.68 -49.52 5.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -50.43 -44.73 55.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -51.8 -32.76 32.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.851 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.505 ' CD2' HG12 ' A' ' 39' ' ' VAL . 89.9 m95 -84.58 -71.35 0.52 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.456 ' CA ' HG23 ' A' ' 115' ' ' VAL . . . -80.51 -70.05 0.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.04 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 149.47 -99.79 0.2 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.542 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.8 111.42 2.81 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.701 2.267 . . . . 0.0 112.304 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -125.03 134.4 25.68 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.627 0.727 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.417 ' O ' ' CD1' ' A' ' 70' ' ' LEU . 53.2 Cg_endo -69.84 -173.93 0.82 Allowed 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.609 2.206 . . . . 0.0 112.264 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -131.26 -69.25 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.115 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 51.5 m -55.76 -34.99 65.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.198 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -54.04 -37.26 63.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.4 tp -61.35 119.86 9.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.956 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.7 tpp180 -127.43 138.85 53.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -71.13 122.85 20.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 38.5 mt -127.56 93.27 3.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.945 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 58.92 -174.32 3.28 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.457 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -142.54 170.57 15.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.903 0.382 . . . . 0.0 110.836 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.473 HG22 ' CG2' ' A' ' 104' ' ' VAL . 54.4 t -139.19 104.99 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.131 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.404 ' CG1' ' HE3' ' A' ' 99' ' ' LYS . 45.1 t -115.68 113.43 43.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.524 ' CD2' ' CE1' ' A' ' 95' ' ' PHE . 7.4 t60 -106.81 156.06 19.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.524 ' N ' ' CD2' ' A' ' 93' ' ' HIS . 24.7 m -125.63 123.15 38.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.167 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.524 ' CE1' ' CD2' ' A' ' 93' ' ' HIS . 39.4 m-85 -109.15 -178.33 3.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.54 ' O ' ' N ' ' A' ' 98' ' ' ILE . 65.3 m -53.39 127.57 25.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.824 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.582 ' CG ' ' O ' ' A' ' 97' ' ' HIS . 0.7 OUTLIER 34.42 30.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.81 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.54 ' N ' ' O ' ' A' ' 96' ' ' SER . 36.1 mt -145.38 159.89 12.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.459 ' N ' ' CG2' ' A' ' 98' ' ' ILE . 0.1 OUTLIER -142.21 131.04 22.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.852 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -119.47 149.76 41.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.971 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 18.3 m -138.36 115.09 10.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.171 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -114.05 138.82 49.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -101.75 115.97 31.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.473 ' CG2' HG22 ' A' ' 91' ' ' VAL . 60.1 t -70.6 127.15 32.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.074 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -136.05 108.64 7.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.944 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -84.84 133.93 12.22 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.468 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.438 ' C ' ' CD1' ' A' ' 107' ' ' LEU . 1.8 tm? -150.55 112.16 4.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.866 0.365 . . . . 0.0 110.894 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -129.73 137.97 50.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.129 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 60.8 mt -73.85 114.98 12.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.966 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 179.98 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . 0.448 ' HA ' ' NE2' ' A' ' 28' ' ' GLN . 53.3 Cg_endo . . . . . 0 N--CA 1.466 -0.142 0 CA-C-O 120.853 0.272 . . . . 0.0 112.34 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.456 HG23 ' CA ' ' A' ' 77' ' ' ALA . 8.4 p -119.98 -40.42 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.142 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.455 ' C ' ' O ' ' A' ' 115' ' ' VAL . 20.7 p 33.76 42.9 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.076 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 24.7 m -162.06 119.89 2.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.473 ' CG2' ' HD2' ' A' ' 119' ' ' PRO . 11.1 p -142.93 137.19 14.76 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.568 0.699 . . . . 0.0 111.133 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 118' ' ' VAL . 53.7 Cg_endo -69.78 166.53 27.3 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.688 2.259 . . . . 0.0 112.355 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 95.85 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.654 2.236 . . . . 0.0 112.329 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 145.51 -7.45 1.54 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.428 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.498 ' HB1' ' CE3' ' A' ' 76' ' ' TRP . . . -111.59 163.81 13.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.772 0.32 . . . . 0.0 111.126 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -146.2 138.84 25.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 29.1 m95 -107.22 101.12 10.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.807 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.407 HD13 ' C ' ' A' ' 125' ' ' LEU . 2.4 pp -118.75 169.85 9.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 6.7 p -84.69 166.57 16.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.196 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -51.49 -53.98 31.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.972 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -54.85 -50.45 68.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.817 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -47.63 -56.92 6.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.838 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.614 ' CE2' ' CZ ' ' A' ' 53' ' ' PHE . 10.2 t80 -38.89 -61.27 0.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.93 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . 0.421 ' C ' ' O ' ' A' ' 130' ' ' PHE . 3.1 m-70 -36.85 -62.09 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 63.1 p -57.19 -38.48 73.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.091 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -49.52 157.12 0.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.465 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . . . -76.8 98.57 4.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.041 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 1.1 t -129.29 145.91 35.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 14.7 t -74.13 154.69 39.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 98.7 m -41.95 -66.73 0.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.147 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -38.3 -62.57 0.57 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' MET . . . . . 0.402 ' HG3' ' CB ' ' A' ' 52' ' ' GLU . 45.4 mmm -50.45 -52.84 34.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 32.5 mttt -49.69 -28.08 5.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.419 ' NZ ' HG11 ' A' ' 91' ' ' VAL . 0.5 OUTLIER -80.56 -25.84 38.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.808 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 20.6 t -65.6 -26.4 38.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.12 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.614 ' CE2' ' NE2' ' A' ' 147' ' ' GLN . 56.9 t80 -79.02 -61.07 2.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.409 ' NH1' ' HB3' ' A' ' 144' ' ' ARG . 0.6 OUTLIER -48.74 -37.03 17.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.915 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 90.8 t -66.34 -37.49 79.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.076 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -73.61 -32.77 64.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.973 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . 0.614 ' NE2' ' CE2' ' A' ' 143' ' ' PHE . 8.3 mt-30 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.206 0 CA-C-O 120.814 0.256 . . . . 0.0 112.33 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 16' ' ' PRO . 12.9 mmm180 -34.41 -66.35 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -84.51 102.37 12.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -144.45 113.31 6.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.839 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.556 ' HB3' ' CD1' ' A' ' 58' ' ' TRP . 68.2 m -112.77 148.77 34.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.438 ' OG ' ' CD2' ' A' ' 102' ' ' TYR . 8.9 p -150.67 152.07 33.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.875 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.444 ' HB3' ' NE2' ' A' ' 65' ' ' GLN . . . -121.72 104.67 9.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.8 t -105.49 148.83 26.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.2 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.4 t -134.18 151.04 51.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.3 t -94.92 131.22 42.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 39.9 tp -115.52 111.0 20.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -121.04 154.0 36.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.462 ' NE2' ' HA ' ' A' ' 114' ' ' PRO . 1.0 OUTLIER -141.56 124.43 9.58 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.625 0.726 . . . . 0.0 110.878 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 118.97 6.0 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.717 2.278 . . . . 0.0 112.331 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -112.26 -145.5 9.74 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.54 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.05 -54.06 5.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.912 0.387 . . . . 0.0 111.151 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.2 mt -60.59 -50.54 73.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.975 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.03 -79.75 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.488 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.92 150.32 15.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.702 0.287 . . . . 0.0 111.175 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.408 ' HG3' ' C ' ' A' ' 125' ' ' LEU . 5.6 tt0 -139.94 138.19 35.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.874 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.9 pt -104.05 174.99 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.0 tp -108.02 151.42 25.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.432 ' CD2' ' HB3' ' A' ' 51' ' ' TRP . 10.2 tp -144.36 120.75 10.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.508 HG12 ' CE2' ' A' ' 76' ' ' TRP . 33.9 m -105.4 146.7 12.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -121.39 121.42 37.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-O 121.631 0.729 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.446 ' N ' HD23 ' A' ' 50' ' ' LEU . 4.2 mm? . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.782 0.325 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.548 ' CZ3' ' HB3' ' A' ' 123' ' ' ARG . 98.7 m95 -70.13 131.05 43.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.96 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -167.46 161.97 14.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.939 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.667 ' CZ ' ' CE2' ' A' ' 130' ' ' PHE . 14.1 m-85 -66.42 152.37 94.7 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.677 0.751 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.82 142.78 48.6 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.672 2.248 . . . . 0.0 112.267 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.4 p -140.62 159.86 41.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.804 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.4 m -128.24 178.96 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.119 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 37.8 p -65.76 140.6 58.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.556 ' CD1' ' HB3' ' A' ' 20' ' ' SER . 89.7 t90 -64.85 151.34 45.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -140.08 136.86 17.44 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.678 0.752 . . . . 0.0 110.85 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.526 ' HA ' ' CH2' ' A' ' 58' ' ' TRP . 53.0 Cg_endo -69.86 -18.55 36.49 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.647 2.231 . . . . 0.0 112.305 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.8 m -100.74 132.84 45.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.829 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.479 ' OE1' ' N ' ' A' ' 63' ' ' GLN . 0.0 OUTLIER -54.11 -37.38 64.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.479 ' N ' ' OE1' ' A' ' 62' ' ' GLU . 25.8 tt0 -74.34 -65.48 0.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 63' ' ' GLN . 10.0 mp -34.38 -41.17 0.11 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.444 ' NE2' ' HB3' ' A' ' 22' ' ' ALA . 6.2 tp60 -59.73 -49.74 76.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.474 ' CZ ' ' HB2' ' A' ' 66' ' ' ARG . 19.0 mtm105 -69.34 -32.95 72.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.7 mtpp -58.04 -52.56 65.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.79 -40.92 39.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.078 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.0 tp -46.18 -47.71 17.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.923 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 71' ' ' GLN . 74.5 mt -67.18 -49.63 63.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 70' ' ' LEU . 81.2 mt-30 -37.43 -52.62 1.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.976 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 75' ' ' ARG . 13.9 tt0 -61.18 -59.99 4.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 26.7 mt -38.41 -54.93 1.43 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.954 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -49.82 -40.42 41.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 72' ' ' GLU . 12.0 mmm180 -53.96 -30.88 48.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.508 ' CE2' HG12 ' A' ' 39' ' ' VAL . 76.3 m95 -88.3 -71.32 0.59 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -77.26 -72.43 0.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.068 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 152.1 -102.36 0.22 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.469 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.84 110.3 2.54 Favored 'Trans proline' 0 C--O 1.233 0.242 0 C-N-CA 122.71 2.273 . . . . 0.0 112.34 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -121.48 135.55 25.17 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.528 0.68 . . . . 0.0 110.979 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -172.06 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.631 2.221 . . . . 0.0 112.322 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -132.93 -61.74 0.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 11.4 p -60.59 -26.65 67.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.11 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -66.4 -35.24 79.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 30.9 tp -63.42 147.8 50.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.945 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -166.36 147.48 6.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 -81.19 123.84 28.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 34.2 mt -126.69 95.38 4.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.956 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.64 -172.76 27.54 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -150.32 171.13 17.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.891 0.377 . . . . 0.0 110.859 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.447 HG23 ' CG2' ' A' ' 104' ' ' VAL . 51.1 t -141.22 105.04 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 53.8 t -115.56 111.12 34.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.072 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 37.3 t60 -104.48 129.52 52.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 20.8 m -98.42 112.33 24.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.157 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -83.19 -175.55 5.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 37.4 m -49.51 -65.43 0.57 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.853 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -125.96 28.98 5.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.846 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.427 HG21 ' CD2' ' A' ' 100' ' ' LEU . 35.4 mt -143.3 147.79 19.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.128 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.41 ' N ' HG22 ' A' ' 98' ' ' ILE . 29.5 tttm -127.19 112.82 15.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.874 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.476 ' N ' HD21 ' A' ' 100' ' ' LEU . 4.0 mm? -99.26 144.29 28.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.951 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 54.9 m -127.48 109.54 11.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.438 ' CD2' ' OG ' ' A' ' 21' ' ' SER . 51.1 m-85 -108.9 149.52 29.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -113.89 113.33 24.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.447 ' CG2' HG23 ' A' ' 91' ' ' VAL . 66.4 t -72.23 128.72 35.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.066 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -133.23 147.77 51.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -119.28 136.84 12.18 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.424 ' C ' ' CD1' ' A' ' 107' ' ' LEU . 1.5 tm? -156.68 116.49 3.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 0.0 110.898 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -137.89 136.71 37.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.152 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.456 HD13 ' NE2' ' A' ' 28' ' ' GLN . 40.0 mt -76.88 106.63 8.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.935 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 48.2 tp10 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 179.947 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . 0.462 ' HA ' ' NE2' ' A' ' 28' ' ' GLN . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.171 0 CA-C-O 120.816 0.257 . . . . 0.0 112.332 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 116' ' ' THR . 11.3 p -98.58 -41.68 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 115' ' ' VAL . 44.8 p 35.46 35.71 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.405 ' N ' ' O ' ' A' ' 115' ' ' VAL . 89.2 m -160.67 123.51 3.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.148 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.473 ' CG2' ' HD2' ' A' ' 119' ' ' PRO . 7.5 p -145.85 138.14 13.57 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.638 0.732 . . . . 0.0 111.136 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 118' ' ' VAL . 53.0 Cg_endo -69.79 169.25 19.39 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.623 2.215 . . . . 0.0 112.302 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 110.56 2.57 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.759 2.306 . . . . 0.0 112.315 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 132.9 -22.14 4.09 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.486 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -103.04 141.54 35.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.774 0.321 . . . . 0.0 111.055 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.548 ' HB3' ' CZ3' ' A' ' 51' ' ' TRP . 13.6 ttm180 -123.34 143.36 50.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 27.5 m95 -109.19 103.36 12.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.938 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.408 ' C ' ' HG3' ' A' ' 35' ' ' GLN . 1.1 pp -125.13 169.89 11.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 17.9 p -82.67 171.9 13.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 13.2 mp0 -58.53 -46.55 86.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.938 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -62.6 -46.62 87.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -58.53 -28.98 65.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.865 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.667 ' CE2' ' CZ ' ' A' ' 53' ' ' PHE . 4.5 t80 -69.05 -45.5 70.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -50.44 -56.23 12.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 80.6 p -64.49 -43.58 93.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.181 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -45.25 147.77 0.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.113 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.64 100.72 0.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 3.1 t -130.85 143.17 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.117 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 17.5 m -67.99 154.06 42.42 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 32.7 m -47.69 -57.46 5.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -50.13 -63.03 1.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 35.7 mmm -48.4 -46.78 37.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -55.24 -30.02 59.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.435 ' CB ' HG21 ' A' ' 91' ' ' VAL . 52.5 mttt -75.15 -36.07 61.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.91 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 49.3 t -52.61 -25.29 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -79.69 -67.4 0.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.429 ' NH1' ' HB3' ' A' ' 144' ' ' ARG . 1.3 ptp180 -43.77 -36.85 2.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 71.4 t -67.19 -46.51 84.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -60.5 -45.02 95.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 179.966 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.198 0 CA-C-O 120.726 0.219 . . . . 0.0 112.375 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 16' ' ' PRO . 85.9 mtt180 -36.29 -57.04 0.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -101.61 100.41 10.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -141.9 113.49 7.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.3 m -118.38 136.13 53.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.784 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.8 m -149.21 151.25 33.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.864 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.412 ' CB ' ' OE1' ' A' ' 65' ' ' GLN . . . -115.57 106.92 14.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.168 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.8 t -100.37 149.27 23.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.412 ' HG ' ' N ' ' A' ' 25' ' ' VAL . 10.0 t -132.64 146.32 51.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.412 ' N ' ' HG ' ' A' ' 24' ' ' CYS . 68.9 t -100.86 117.9 46.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 tp -102.49 124.2 47.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -131.46 146.08 52.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.415 ' OE1' ' CD1' ' A' ' 109' ' ' LEU . 11.3 tt0 -144.11 136.05 13.06 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.57 0.7 . . . . 0.0 110.945 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 125.19 11.84 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.714 2.276 . . . . 0.0 112.29 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -118.71 -139.67 6.15 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.508 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.27 -58.46 3.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.863 0.363 . . . . 0.0 111.132 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.8 mt -56.19 -50.9 69.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.974 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.4 -53.68 0.15 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -162.82 152.92 16.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.7 0.286 . . . . 0.0 111.105 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -149.23 140.12 22.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.7 pt -103.29 175.74 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.9 tp -110.41 134.27 52.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.937 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.7 tp -131.62 122.73 26.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.505 HG11 ' CD2' ' A' ' 76' ' ' TRP . 34.2 m -111.37 146.44 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.21 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -99.5 163.25 12.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.946 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.641 0.734 . . . . 0.0 110.894 -179.949 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.832 0.348 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 86.4 m95 -88.67 125.89 35.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -155.33 154.78 32.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.753 ' CZ ' ' CE1' ' A' ' 130' ' ' PHE . 16.2 m-85 -56.52 151.7 28.49 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.618 0.723 . . . . 0.0 110.928 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 142.68 48.94 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.717 2.278 . . . . 0.0 112.376 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.5 p -146.31 163.63 34.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.1 m -126.38 177.15 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.104 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.6 t -67.76 150.65 48.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.459 ' CG ' ' N ' ' A' ' 59' ' ' GLU . 75.4 t90 -58.92 168.02 1.41 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.897 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.459 ' N ' ' CG ' ' A' ' 58' ' ' TRP . 5.2 mm-40 -154.37 134.56 8.07 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.698 0.761 . . . . 0.0 110.803 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -22.41 32.18 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.667 2.244 . . . . 0.0 112.347 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.2 t -103.37 131.92 50.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -56.02 -28.2 56.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -80.24 -62.25 1.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.414 ' N ' ' CD1' ' A' ' 64' ' ' LEU . 1.9 mp -40.78 -37.3 0.74 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.425 ' HA ' ' NE2' ' A' ' 65' ' ' GLN . 2.3 tp-100 -60.47 -54.9 39.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.86 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 40.2 mtt180 -65.88 -39.35 90.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.817 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 32.1 mtpt -53.41 -54.86 30.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.41 ' HA ' ' NE2' ' A' ' 71' ' ' GLN . . . -74.92 -32.74 61.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.118 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 38.7 tp -53.68 -53.71 48.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 89.4 mt -63.42 -46.45 86.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.41 ' NE2' ' HA ' ' A' ' 68' ' ' ALA . 57.8 mt-30 -38.39 -40.73 0.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -70.86 -58.09 3.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.918 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 29.9 mt -41.58 -52.12 3.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -50.28 -38.15 39.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 60.4 mtt-85 -58.31 -29.91 66.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.505 ' CD2' HG11 ' A' ' 39' ' ' VAL . 75.9 m95 -88.85 -70.23 0.66 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -82.04 -72.76 0.42 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 155.82 -102.6 0.22 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.486 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 118.89 5.95 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.667 2.245 . . . . 0.0 112.393 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -126.42 135.22 26.89 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.637 0.732 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.47 ' CG ' HD13 ' A' ' 107' ' ' LEU . 52.9 Cg_endo -69.81 171.92 13.64 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.672 2.248 . . . . 0.0 112.337 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -117.45 -58.99 1.98 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.067 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 51.5 p -63.18 -31.45 72.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.151 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -57.34 -40.99 79.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.7 tp -56.64 137.94 53.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 -157.0 139.15 14.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.83 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 105' ' ' TYR . 18.5 t-80 -75.86 120.03 20.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 17.9 mt -123.66 93.96 4.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.25 -170.86 29.48 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.466 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.13 171.25 16.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.945 0.403 . . . . 0.0 110.838 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 13.8 t -139.94 105.05 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.095 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.1 t -115.51 103.82 15.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.718 ' CD2' ' CE1' ' A' ' 95' ' ' PHE . 12.3 t60 -99.2 126.69 45.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.4 p -93.98 113.25 25.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.718 ' CE1' ' CD2' ' A' ' 93' ' ' HIS . 57.3 m-85 -102.54 -178.33 3.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.487 ' O ' ' CG ' ' A' ' 97' ' ' HIS . 45.3 m -47.65 107.86 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.487 ' CG ' ' O ' ' A' ' 96' ' ' SER . 19.5 p-80 44.02 36.61 1.49 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.468 HG23 ' CD2' ' A' ' 100' ' ' LEU . 23.9 mt -143.28 142.98 25.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.065 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.453 ' N ' HG21 ' A' ' 98' ' ' ILE . 34.1 tttt -127.59 112.36 14.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.468 ' CD2' HG23 ' A' ' 98' ' ' ILE . 4.3 mm? -98.76 142.26 30.53 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 20.5 m -122.4 97.79 5.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.188 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -101.96 131.84 48.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.982 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 -99.67 113.42 25.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 59.0 t -73.69 125.21 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.161 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.57 ' CE1' ' HB2' ' A' ' 87' ' ' HIS . 27.9 m-85 -136.74 120.11 16.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.939 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -92.74 143.62 16.6 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.534 ' C ' ' CD1' ' A' ' 107' ' ' LEU . 0.4 OUTLIER -154.82 114.62 3.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.769 0.319 . . . . 0.0 110.903 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.468 ' N ' HD11 ' A' ' 107' ' ' LEU . . . -127.43 146.6 50.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.169 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.415 ' CD1' ' OE1' ' A' ' 28' ' ' GLN . 71.7 mt -92.68 115.45 28.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 179.976 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.153 0 CA-C-O 120.878 0.283 . . . . 0.0 112.315 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.404 ' CG2' ' O ' ' A' ' 117' ' ' THR . 7.1 p -120.53 -44.89 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.179 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 33.9 p 38.25 33.21 0.06 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.404 ' O ' ' CG2' ' A' ' 115' ' ' VAL . 4.3 t -165.33 148.82 8.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.437 ' CG2' ' HD2' ' A' ' 119' ' ' PRO . 6.4 p -157.26 137.5 8.91 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.644 0.735 . . . . 0.0 111.11 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.437 ' HD2' ' CG2' ' A' ' 118' ' ' VAL . 53.6 Cg_endo -69.74 169.17 19.5 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.662 2.241 . . . . 0.0 112.356 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.87 112.91 3.22 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.617 2.211 . . . . 0.0 112.362 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 128.23 -9.36 6.62 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.53 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.407 ' HB1' ' CG2' ' A' ' 118' ' ' VAL . . . -118.45 156.61 28.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.805 0.336 . . . . 0.0 111.116 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -140.99 144.87 35.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 28.9 m95 -109.95 111.44 22.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.427 HD11 ' C ' ' A' ' 125' ' ' LEU . 1.9 pp -127.69 169.9 13.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.8 p -82.2 158.42 23.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -49.61 -35.35 20.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -70.73 -51.86 24.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -50.35 -46.46 55.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.753 ' CE1' ' CZ ' ' A' ' 53' ' ' PHE . 11.7 t80 -46.15 -60.5 2.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 130' ' ' PHE . 4.4 m-70 -37.99 -63.83 0.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 70.9 p -57.59 -42.8 83.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -45.84 152.91 0.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.098 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.403 ' C ' HG22 ' A' ' 135' ' ' VAL . . . -69.48 101.45 1.59 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.066 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.403 HG22 ' C ' ' A' ' 134' ' ' ALA . 5.0 t -131.62 147.35 32.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 41.5 t -71.95 146.05 48.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 96.3 m -39.32 -65.92 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.171 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -38.21 -72.0 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.081 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' MET . . . . . 0.404 ' O ' ' N ' ' A' ' 142' ' ' VAL . 42.1 mmm -41.1 -58.42 1.77 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.91 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? -44.35 -35.03 2.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.948 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -72.85 -35.2 67.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.404 ' N ' ' O ' ' A' ' 139' ' ' MET . 24.2 t -55.85 -19.72 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -76.6 -66.68 0.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 33.4 ptt85 -45.89 -28.82 1.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 86.4 t -78.1 -36.76 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.136 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -72.54 -32.13 65.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.893 -179.977 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 17' ' ' ARG . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.139 0 CA-C-O 120.754 0.231 . . . . 0.0 112.321 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 16' ' ' PRO . 52.6 mtt180 -38.21 -62.63 0.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -83.06 100.23 10.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -146.68 113.48 6.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.456 ' HB2' ' CB ' ' A' ' 58' ' ' TRP . 25.5 m -117.98 146.87 43.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.7 m -151.81 153.05 33.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.836 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.499 ' CB ' ' CD ' ' A' ' 65' ' ' GLN . . . -117.42 108.23 15.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.122 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.0 t -104.91 146.26 29.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.2 t -127.03 161.92 27.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.828 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 95.4 t -115.12 111.08 34.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.101 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 38.6 tp -96.4 117.73 31.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.927 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -123.7 144.8 49.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.428 ' CD ' HD11 ' A' ' 109' ' ' LEU . 0.8 OUTLIER -127.31 128.96 23.98 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.647 0.736 . . . . 0.0 110.863 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 119.31 6.28 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.685 2.256 . . . . 0.0 112.358 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -125.64 -173.06 13.55 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.459 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.44 -54.9 40.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.84 0.352 . . . . 0.0 111.096 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 34.0 mt -52.93 -50.18 64.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.06 -66.59 0.15 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -170.1 135.39 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.746 0.307 . . . . 0.0 111.065 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -125.95 141.79 51.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.856 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 8.2 pt -105.71 173.91 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.119 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 42.6 tp -108.76 137.62 46.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.456 HD13 ' CD1' ' A' ' 53' ' ' PHE . 9.8 tp -133.44 124.89 27.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.43 HG13 ' CD2' ' A' ' 76' ' ' TRP . 24.2 m -112.06 137.28 45.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -76.36 152.67 36.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.907 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 121.611 0.719 . . . . 0.0 110.859 -179.947 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.842 0.353 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.415 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 83.1 m95 -81.41 146.0 30.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.413 ' C ' HD11 ' A' ' 38' ' ' LEU . 3.2 pt-20 -174.22 160.14 3.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.696 ' CZ ' ' CE1' ' A' ' 130' ' ' PHE . 22.0 m-85 -68.7 149.42 97.95 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.655 0.74 . . . . 0.0 110.86 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 143.31 50.33 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.673 2.249 . . . . 0.0 112.33 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 99.0 p -143.69 165.44 27.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.85 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 18.2 m -128.13 178.36 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.169 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.8 p -65.41 149.36 50.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.167 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.456 ' CB ' ' HB2' ' A' ' 20' ' ' SER . 88.9 t90 -68.62 147.1 52.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.861 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -132.92 134.87 25.02 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.6 0.714 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 -23.47 31.15 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.639 2.226 . . . . 0.0 112.387 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.1 t -100.54 130.69 46.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.441 ' HG2' ' N ' ' A' ' 63' ' ' GLN . 0.3 OUTLIER -50.93 -36.58 39.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.475 ' O ' ' N ' ' A' ' 66' ' ' ARG . 7.3 tp60 -72.39 -67.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 63' ' ' GLN . 6.8 mp -34.25 -42.48 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.499 ' CD ' ' CB ' ' A' ' 22' ' ' ALA . 3.7 tp-100 -58.36 -48.76 79.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 63' ' ' GLN . 20.1 mtt180 -71.46 -39.64 70.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.7 mttm -55.42 -46.21 76.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.84 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -82.59 -36.61 26.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 50.4 tp -46.82 -51.94 15.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.912 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 76.6 mt -68.82 -43.95 74.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -41.15 -45.8 2.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -71.0 -60.53 2.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.9 mt -38.22 -55.28 1.33 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -46.13 -43.22 14.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.962 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -51.12 -32.75 23.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.85 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.43 ' CD2' HG13 ' A' ' 39' ' ' VAL . 93.0 m95 -86.09 -75.09 0.39 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.471 ' CA ' HG22 ' A' ' 115' ' ' VAL . . . -72.81 -71.62 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.075 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 150.06 -100.61 0.21 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.486 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 109.23 2.27 Favored 'Trans proline' 0 C--O 1.233 0.251 0 C-N-CA 122.688 2.259 . . . . 0.0 112.36 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -123.18 126.45 25.94 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.659 0.742 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 163.01 39.83 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.662 2.242 . . . . 0.0 112.389 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -102.97 -66.97 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.081 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 84' ' ' HIS . 90.1 m -45.67 -56.71 4.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.443 ' C ' ' O ' ' A' ' 83' ' ' THR . 18.6 m170 -34.06 -57.05 0.48 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 63.5 tp -39.06 135.97 0.86 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.0 mtp85 -157.62 130.29 7.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.417 ' HB2' ' CE1' ' A' ' 105' ' ' TYR . 19.2 t-80 -69.97 123.3 21.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 29.6 mt -128.27 97.85 4.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 65.81 -173.49 22.1 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.456 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -147.98 171.04 16.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.861 0.362 . . . . 0.0 110.856 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.469 HG23 ' CG2' ' A' ' 104' ' ' VAL . 74.0 t -141.56 106.56 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.158 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 93.5 t -120.8 107.58 20.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.554 ' CD2' ' CE1' ' A' ' 95' ' ' PHE . 49.2 t60 -99.06 117.25 33.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 24.7 m -82.44 128.69 34.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.166 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.554 ' CE1' ' CD2' ' A' ' 93' ' ' HIS . 44.7 m-85 -105.28 174.79 5.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 34.6 m -46.68 -68.91 0.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -119.72 27.13 8.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 56.9 mt -143.35 152.92 16.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 50.7 tttt -135.06 113.03 11.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -99.75 139.04 36.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 99.1 m -127.12 99.75 5.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.158 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -98.55 147.5 24.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -109.62 116.18 31.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.469 ' CG2' HG23 ' A' ' 91' ' ' VAL . 84.7 t -72.78 124.4 29.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.176 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.417 ' CE1' ' HB2' ' A' ' 87' ' ' HIS . 28.5 m-85 -132.33 130.4 40.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -103.72 140.64 14.99 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.491 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -155.95 106.41 2.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.813 0.339 . . . . 0.0 110.909 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -126.03 141.41 51.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.086 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.428 HD11 ' CD ' ' A' ' 28' ' ' GLN . 78.6 mt -80.03 104.29 10.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.956 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.947 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 N--CA 1.465 -0.167 0 CA-C-O 120.776 0.24 . . . . 0.0 112.35 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.471 HG22 ' CA ' ' A' ' 77' ' ' ALA . 7.2 p -98.79 -40.55 9.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.155 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 115' ' ' VAL . 30.0 p 35.33 36.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.431 HG22 ' N ' ' A' ' 118' ' ' VAL . 90.1 m -152.56 143.05 22.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.219 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.431 ' N ' HG22 ' A' ' 117' ' ' THR . 14.3 p -168.6 134.17 1.47 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.649 0.738 . . . . 0.0 111.149 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 170.05 17.57 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.655 2.237 . . . . 0.0 112.327 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 3.26 2.86 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.752 2.302 . . . . 0.0 112.378 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -115.45 20.31 13.87 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.486 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -142.61 160.54 40.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.747 0.308 . . . . 0.0 111.114 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -144.51 138.81 27.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 33.7 m95 -106.11 107.49 18.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.947 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.7 pp -124.72 170.24 11.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 34.2 p -77.62 174.0 11.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.128 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -62.94 -45.75 90.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -63.21 -63.82 1.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -37.98 -44.11 0.77 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.878 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.696 ' CE1' ' CZ ' ' A' ' 53' ' ' PHE . 19.6 t80 -49.54 -58.54 5.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.951 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . 0.427 ' C ' ' O ' ' A' ' 130' ' ' PHE . 21.0 m-70 -35.74 -58.24 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.89 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 48.8 p -60.59 -43.48 97.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.162 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -44.75 130.03 7.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.096 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -54.78 102.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.084 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.427 ' HB ' ' CG ' ' A' ' 140' ' ' LYS . 11.3 t -132.62 145.76 33.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.074 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 8.2 t -65.07 144.64 57.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.879 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 99.7 m -40.57 -63.73 0.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.152 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -42.58 -65.64 0.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.079 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 40.9 mmm -46.61 -51.81 14.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . 0.427 ' CG ' ' HB ' ' A' ' 135' ' ' VAL . 17.5 mtpt -51.12 -34.9 32.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.418 ' HA ' ' CD ' ' A' ' 144' ' ' ARG . 18.8 mtpp -73.54 -34.3 65.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 79.2 t -51.91 -29.73 11.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.163 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.461 ' O ' ' N ' ' A' ' 146' ' ' TYR . 64.8 t80 -75.08 -66.9 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.43 ' NH1' ' HB3' ' A' ' 144' ' ' ARG . 1.2 ptp180 -41.57 -42.12 2.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.821 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 58.0 t -64.69 -34.88 72.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . 0.461 ' N ' ' O ' ' A' ' 143' ' ' PHE . 2.2 t80 -71.61 -52.91 15.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.942 179.96 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.218 0 CA-C-O 120.73 0.221 . . . . 0.0 112.31 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 16' ' ' PRO . 11.1 mmt85 -34.31 -68.05 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.942 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -80.58 100.32 8.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -143.5 113.56 7.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.816 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.0 m -125.59 146.26 49.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.9 m -153.46 157.4 39.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.469 ' HB1' ' NE2' ' A' ' 65' ' ' GLN . . . -112.88 115.02 27.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.092 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.0 t -110.82 145.56 37.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 45.8 t -130.19 158.06 40.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.1 t -108.18 122.53 62.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.077 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.9 tp -106.22 116.57 32.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.835 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -125.37 139.33 53.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -130.18 121.97 19.9 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.602 0.715 . . . . 0.0 110.902 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 127.29 14.38 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.638 2.225 . . . . 0.0 112.407 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -122.19 -166.88 12.91 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.47 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.2 -44.22 97.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.781 0.324 . . . . 0.0 111.07 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.2 mt -70.52 -42.39 71.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.07 -96.59 0.11 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.491 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -164.64 119.56 1.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.686 0.279 . . . . 0.0 111.107 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -112.08 164.2 13.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.9 pt -109.68 176.53 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.168 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.7 tp -109.45 142.95 39.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.979 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.1 tp -137.41 129.48 29.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.6 m -114.34 147.19 17.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.097 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -103.13 173.46 6.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.97 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.5 mmt85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 121.593 0.711 . . . . 0.0 110.82 -179.861 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.0 mm? . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.82 0.343 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.496 ' CE3' ' CD ' ' A' ' 123' ' ' ARG . 86.4 m95 -110.41 113.29 25.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.462 ' CB ' ' HG3' ' A' ' 139' ' ' MET . 2.6 pm0 -138.24 176.39 8.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.837 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.527 ' CZ ' ' CE2' ' A' ' 130' ' ' PHE . 12.8 m-85 -75.51 150.58 84.72 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.638 0.733 . . . . 0.0 110.871 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 143.06 49.84 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.718 2.278 . . . . 0.0 112.365 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 89.4 p -146.61 159.99 42.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.483 ' CG1' ' CB ' ' A' ' 72' ' ' GLU . 10.3 m -124.02 179.63 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.106 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 29.6 p -64.83 136.41 56.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.491 ' CG ' ' N ' ' A' ' 59' ' ' GLU . 78.7 t90 -56.86 169.29 0.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.92 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.491 ' N ' ' CG ' ' A' ' 58' ' ' TRP . 7.5 mm-40 -152.61 135.69 9.5 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.649 0.738 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.488 ' HA ' ' CH2' ' A' ' 58' ' ' TRP . 53.5 Cg_endo -69.71 -19.89 35.77 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.682 2.255 . . . . 0.0 112.344 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -96.67 154.36 17.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.846 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -75.48 -27.75 58.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 43.6 tp60 -85.86 -57.43 3.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.9 mp -42.9 -39.48 2.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.469 ' NE2' ' HB1' ' A' ' 22' ' ' ALA . 18.7 tp60 -54.3 -51.21 65.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 55.1 mtt180 -70.05 -43.68 70.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -43.08 -49.16 6.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 70' ' ' LEU . . . -81.76 -53.17 6.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.109 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 68' ' ' ALA . 59.3 tp -34.3 -34.72 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 68' ' ' ALA . 68.1 mt -86.94 -49.89 7.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -41.03 -34.62 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.483 ' CB ' ' CG1' ' A' ' 56' ' ' VAL . 2.6 tp10 -77.64 -57.49 3.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 18.0 mt -39.74 -49.09 2.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -51.62 -47.79 63.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 31.7 mtp180 -49.19 -27.1 3.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 90.1 m95 -90.37 -72.91 0.55 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -79.05 -70.04 0.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.099 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 155.21 -104.87 0.26 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.507 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 119.6 6.52 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.644 2.23 . . . . 0.0 112.418 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -127.35 131.3 23.77 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.579 0.704 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 179.21 3.83 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.7 2.266 . . . . 0.0 112.347 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -124.97 -61.21 1.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 40.9 p -54.0 -49.53 68.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 30.6 m170 -46.98 -47.74 21.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 47.4 tp -44.45 134.16 5.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.955 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 56.0 mtt180 -156.44 133.36 10.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.563 ' HB2' ' CE1' ' A' ' 105' ' ' TYR . 22.1 t-80 -73.45 125.91 28.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 21.6 mt -128.04 95.11 4.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.954 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.429 ' O ' ' NE2' ' A' ' 87' ' ' HIS . . . 70.65 -174.95 38.31 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.453 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -147.76 168.75 21.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.848 0.356 . . . . 0.0 110.93 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.468 HG22 ' CG2' ' A' ' 104' ' ' VAL . 76.2 t -137.35 106.1 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.189 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.2 t -119.05 103.08 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.079 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 21.1 t60 -98.58 111.09 23.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 27.8 m -82.49 109.73 16.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -81.44 -175.93 5.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.8 m -54.47 -67.02 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -119.43 25.8 9.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.442 HG22 ' CD2' ' A' ' 100' ' ' LEU . 46.6 mt -142.28 147.83 20.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.107 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 51.5 tttt -127.23 110.0 12.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.442 ' CD2' HG22 ' A' ' 98' ' ' ILE . 3.7 mm? -98.29 140.04 33.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.95 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 91.0 m -128.85 102.8 6.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.163 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -103.33 147.68 26.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.97 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -109.93 113.14 25.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.468 ' CG2' HG22 ' A' ' 91' ' ' VAL . 60.8 t -71.63 124.32 27.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.563 ' CE1' ' HB2' ' A' ' 87' ' ' HIS . 24.1 m-85 -131.08 138.54 49.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.944 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -107.47 142.69 15.84 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.517 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.416 HD13 ' N ' ' A' ' 108' ' ' ALA . 1.7 tm? -161.69 125.81 3.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.835 0.35 . . . . 0.0 110.847 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.416 ' N ' HD13 ' A' ' 107' ' ' LEU . . . -145.21 158.25 43.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.177 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 87.3 mt -96.36 120.0 35.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 179.929 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo . . . . . 0 N--CA 1.465 -0.179 0 CA-C-O 120.818 0.257 . . . . 0.0 112.412 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.48 ' O ' ' N ' ' A' ' 117' ' ' THR . 7.7 p -100.84 -39.82 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.449 ' C ' ' O ' ' A' ' 115' ' ' VAL . 25.5 p 33.83 34.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.159 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.48 ' N ' ' O ' ' A' ' 115' ' ' VAL . 18.4 m -155.38 129.76 8.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.462 ' CG2' ' HD2' ' A' ' 119' ' ' PRO . 8.4 p -164.93 137.44 3.59 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.584 0.707 . . . . 0.0 111.114 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.462 ' HD2' ' CG2' ' A' ' 118' ' ' VAL . 53.6 Cg_endo -69.76 164.26 35.22 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.644 2.229 . . . . 0.0 112.346 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 2.77 3.21 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.67 2.247 . . . . 0.0 112.374 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -107.72 22.31 28.41 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.468 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.454 ' HB2' ' CG2' ' A' ' 118' ' ' VAL . . . -146.06 173.07 12.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.777 0.323 . . . . 0.0 111.113 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.496 ' CD ' ' CE3' ' A' ' 51' ' ' TRP . 14.0 ptm180 -155.14 139.23 16.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 33.8 m95 -103.33 103.58 13.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.3 pp -121.57 167.88 12.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 7.9 p -79.45 163.92 24.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.159 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -53.95 -42.74 69.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -65.63 -54.24 30.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.909 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -47.3 -34.41 6.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.928 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.527 ' CE2' ' CZ ' ' A' ' 53' ' ' PHE . 4.0 t80 -64.73 -56.79 11.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 130' ' ' PHE . 8.4 m-70 -37.56 -54.02 1.17 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 74.9 p -69.75 -46.22 66.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -39.37 144.77 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.162 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.56 104.81 1.07 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.104 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 2.6 t -132.82 149.42 31.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.183 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 36.1 m -67.96 151.19 47.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.82 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 97.8 m -46.81 -55.6 7.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.134 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -50.82 -66.35 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.158 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' MET . . . . . 0.462 ' HG3' ' CB ' ' A' ' 52' ' ' GLU . 38.0 mmm -46.32 -47.97 18.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.947 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 14.6 mtpt -50.4 -34.83 25.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.872 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 19.7 mttp -74.42 -34.41 63.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 35.7 t -54.81 -16.77 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.14 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.56 ' CE1' ' HG3' ' A' ' 147' ' ' GLN . 46.2 t80 -91.65 -69.38 0.74 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.0 -33.31 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.819 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 77.9 t -75.26 -41.25 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.077 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . 0.445 ' N ' ' O ' ' A' ' 143' ' ' PHE . 2.0 t80 -69.49 -32.47 71.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.944 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . 0.56 ' HG3' ' CE1' ' A' ' 143' ' ' PHE . 37.9 mm-40 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.168 0 CA-C-O 120.696 0.206 . . . . 0.0 112.344 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 16' ' ' PRO . 40.6 mtp180 -37.29 -60.76 0.64 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -87.32 100.3 12.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.802 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -144.04 113.6 7.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.5 m -121.5 143.5 49.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.4 m -147.77 154.5 40.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.498 ' CB ' ' OE1' ' A' ' 65' ' ' GLN . . . -116.45 111.55 20.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.067 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.5 t -108.25 145.61 34.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.196 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 34.2 t -128.28 160.14 33.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 96.6 t -114.52 107.68 23.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.163 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.459 HD21 ' CZ2' ' A' ' 124' ' ' TRP . 26.2 tp -91.55 126.92 36.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.872 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -147.23 157.88 43.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -146.8 151.02 41.21 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.59 0.71 . . . . 0.0 110.92 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 119.81 6.7 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.658 2.239 . . . . 0.0 112.362 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -111.11 -150.75 11.99 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.548 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.68 -57.73 2.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.869 0.366 . . . . 0.0 111.114 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.2 mt -65.61 -44.7 85.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.91 -76.67 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.454 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -170.68 142.59 2.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.66 0.267 . . . . 0.0 111.131 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.411 ' HG3' ' C ' ' A' ' 125' ' ' LEU . 36.4 tt0 -124.25 130.56 52.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.938 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.7 pt -95.38 177.02 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.194 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.2 tp -109.8 142.54 40.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.947 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.419 HD12 ' C ' ' A' ' 52' ' ' GLU . 10.0 tp -138.62 121.3 16.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.976 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.474 HG13 ' CD2' ' A' ' 76' ' ' TRP . 24.0 m -109.53 169.81 3.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.065 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.462 ' HG3' ' CE3' ' A' ' 51' ' ' TRP . 45.2 mt-30 -104.01 163.87 12.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.946 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 121.65 0.738 . . . . 0.0 110.852 -179.942 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.469 HD22 ' N ' ' A' ' 50' ' ' LEU . 4.5 mm? . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.777 0.322 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.462 ' CE3' ' HG3' ' A' ' 40' ' ' GLN . 98.1 m95 -107.21 110.64 22.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.511 ' N ' ' CD ' ' A' ' 52' ' ' GLU . 0.8 OUTLIER -143.57 165.7 26.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.581 ' CZ ' ' CZ ' ' A' ' 130' ' ' PHE . 22.2 m-85 -71.83 151.94 93.2 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.686 0.755 . . . . 0.0 110.825 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 142.09 46.73 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.686 2.257 . . . . 0.0 112.288 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.8 p -145.94 161.56 39.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.817 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.2 m -124.42 174.84 7.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.156 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 29.1 p -62.05 143.46 56.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.115 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.428 ' CG ' ' N ' ' A' ' 59' ' ' GLU . 72.0 t90 -57.72 167.69 1.05 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.428 ' N ' ' CG ' ' A' ' 58' ' ' TRP . 55.0 mm-40 -156.85 132.26 5.6 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.66 0.743 . . . . 0.0 110.883 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 -19.47 35.69 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.68 2.253 . . . . 0.0 112.302 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -104.92 126.93 52.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -49.93 -35.35 23.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.922 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -72.34 -66.58 0.63 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.0 mp -38.05 -38.25 0.31 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.498 ' OE1' ' CB ' ' A' ' 22' ' ' ALA . 3.3 tp-100 -62.55 -53.55 53.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.436 ' HG2' ' CD2' ' A' ' 85' ' ' LEU . 74.3 mtm180 -65.27 -42.31 93.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -54.31 -49.6 69.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.95 -38.17 57.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 47.1 tp -49.43 -60.3 2.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.957 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 71' ' ' GLN . 87.4 mt -55.77 -54.57 42.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 70' ' ' LEU . 31.7 mm-40 -35.82 -41.64 0.23 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -71.87 -55.62 7.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 24.2 mt -44.63 -46.89 10.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -54.43 -44.66 72.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -53.44 -30.14 38.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.474 ' CD2' HG13 ' A' ' 39' ' ' VAL . 91.9 m95 -88.21 -69.44 0.7 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.457 ' HB2' ' CG2' ' A' ' 115' ' ' VAL . . . -79.82 -72.35 0.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.085 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 155.39 -105.21 0.27 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.446 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 115.11 3.93 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.735 2.29 . . . . 0.0 112.339 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -124.95 133.45 24.82 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.652 0.739 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 178.94 4.06 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.607 2.205 . . . . 0.0 112.393 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -118.76 -64.01 1.33 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.014 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 84' ' ' HIS . 66.7 p -56.85 -50.0 73.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.187 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.44 ' C ' ' O ' ' A' ' 83' ' ' THR . 14.2 m-70 -34.69 -54.42 0.55 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.436 ' CD2' ' HG2' ' A' ' 66' ' ' ARG . 55.7 tp -42.65 140.97 1.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.952 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 26.3 ptt-85 -160.64 131.76 5.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.959 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 33.2 t-80 -68.47 122.4 18.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 19.9 mt -128.8 93.77 3.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.958 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 65.81 -178.19 12.56 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.477 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -145.22 171.23 14.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.906 0.384 . . . . 0.0 110.89 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.454 HG22 ' CG2' ' A' ' 104' ' ' VAL . 57.0 t -143.25 115.8 3.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 65.2 t -125.42 113.2 34.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.216 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 61.7 t60 -99.55 112.08 24.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 32.1 m -81.42 101.91 10.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.437 ' CD2' HD21 ' A' ' 100' ' ' LEU . 32.4 m-85 -71.77 -179.59 2.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 71.4 m -59.06 -52.22 66.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.821 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.408 ' C ' HG13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -130.57 24.38 5.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.408 HG13 ' C ' ' A' ' 97' ' ' HIS . 43.3 mt -143.5 155.18 16.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 19.0 tttp -130.03 115.02 16.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.437 HD21 ' CD2' ' A' ' 95' ' ' PHE . 4.3 mm? -102.5 135.57 43.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.99 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 89.6 m -122.84 97.84 5.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.119 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -96.15 152.68 18.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.949 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -115.29 114.36 25.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.889 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.454 ' CG2' HG22 ' A' ' 91' ' ' VAL . 58.2 t -74.38 124.77 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.196 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -133.93 136.65 44.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -112.38 125.5 7.16 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.505 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.423 ' C ' HD12 ' A' ' 107' ' ' LEU . 2.1 tm? -134.95 103.42 5.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.363 . . . . 0.0 110.958 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -119.63 129.09 54.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.066 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 67.9 mt -75.18 101.54 4.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.947 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 N--CA 1.466 -0.139 0 CA-C-O 120.865 0.277 . . . . 0.0 112.344 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.461 ' O ' ' C ' ' A' ' 116' ' ' THR . 7.6 p -110.85 -51.43 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.199 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.461 ' C ' ' O ' ' A' ' 115' ' ' VAL . 3.3 t 31.95 38.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.123 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 115' ' ' VAL . 77.3 m -151.52 127.36 10.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.153 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.431 ' CG2' ' HB1' ' A' ' 122' ' ' ALA . 13.3 p -151.72 134.17 8.62 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.586 0.707 . . . . 0.0 111.102 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 169.75 18.12 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.672 2.248 . . . . 0.0 112.408 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 3.24 2.9 Favored 'Trans proline' 0 C--N 1.34 0.119 0 C-N-CA 122.635 2.224 . . . . 0.0 112.363 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -110.62 9.31 30.28 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.547 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.431 ' HB1' ' CG2' ' A' ' 118' ' ' VAL . . . -139.22 172.82 12.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.799 0.333 . . . . 0.0 111.064 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -151.99 141.52 21.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' TRP . . . . . 0.459 ' CZ2' HD21 ' A' ' 26' ' ' LEU . 34.0 m95 -108.61 112.26 24.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.961 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.411 ' C ' ' HG3' ' A' ' 35' ' ' GLN . 1.2 pp -128.48 168.09 16.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 17.6 p -79.86 160.18 26.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.148 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -50.24 -44.75 53.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -61.51 -48.23 82.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -52.86 -44.85 67.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.867 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.581 ' CZ ' ' CZ ' ' A' ' 53' ' ' PHE . 36.4 t80 -51.42 -59.95 3.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . 0.434 ' C ' ' O ' ' A' ' 130' ' ' PHE . 16.7 m-70 -35.48 -61.21 0.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 59.0 p -66.79 -26.49 66.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.18 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.491 ' N ' ' O ' ' A' ' 130' ' ' PHE . . . -59.84 128.84 38.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.072 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.42 ' C ' HG22 ' A' ' 135' ' ' VAL . . . -56.01 102.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.42 HG22 ' C ' ' A' ' 134' ' ' ALA . 2.4 t -132.24 150.02 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.18 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 137' ' ' THR . 35.3 t -64.38 138.44 58.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 136' ' ' SER . 73.6 m -36.33 -66.1 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.143 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.428 ' HA ' ' CE ' ' A' ' 141' ' ' LYS . . . -39.78 -64.0 0.53 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.082 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 36.7 mmm -46.12 -48.23 17.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . 0.405 ' NZ ' ' O ' ' A' ' 131' ' ' HIS . 7.4 mtpp -58.65 -33.54 70.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.428 ' CE ' ' HA ' ' A' ' 138' ' ' ALA . 46.8 mtmt -70.28 -36.57 74.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.849 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 49.7 t -59.04 -28.26 38.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.16 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -67.56 -67.87 0.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -49.14 -30.73 7.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 33.1 t -72.25 -29.29 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -82.67 -37.48 24.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.957 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.902 -179.967 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.74 0.225 . . . . 0.0 112.285 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 16' ' ' PRO . 62.3 mtm-85 -37.54 -61.23 0.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -87.37 100.29 12.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.853 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -139.47 113.47 8.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.964 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.8 m -115.95 140.53 49.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.9 m -150.42 149.41 30.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -115.99 114.14 24.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.2 t -108.65 147.94 31.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 49.9 t -129.42 158.32 39.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 89.0 t -111.96 122.31 66.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 36.0 tp -103.85 120.5 41.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.973 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -122.23 145.24 48.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -139.37 153.46 70.88 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.623 0.725 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 132.19 22.84 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.694 2.263 . . . . 0.0 112.365 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -125.89 159.23 20.3 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.452 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.94 -29.1 7.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.832 0.348 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.464 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -88.65 -32.75 17.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.949 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 166.33 -66.25 0.2 Allowed Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.463 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -163.52 155.64 17.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.744 0.307 . . . . 0.0 111.106 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -146.32 143.58 29.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.9 pt -106.01 172.82 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.204 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.2 tp -105.74 141.01 37.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.416 HD11 ' C ' ' A' ' 52' ' ' GLU . 10.2 tp -138.92 121.6 16.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.859 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.502 HG11 ' CD2' ' A' ' 76' ' ' TRP . 21.7 m -113.18 130.05 67.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -105.55 142.09 35.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 56.5 mtm180 . . . . . 0 C--N 1.33 -0.267 0 CA-C-O 121.628 0.727 . . . . 0.0 110.855 -179.915 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.7 mm? . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.807 0.337 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.415 ' CZ3' ' HG2' ' A' ' 123' ' ' ARG . 91.6 m95 -93.17 127.16 38.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.416 ' C ' HD11 ' A' ' 38' ' ' LEU . 1.2 pm0 -154.5 162.74 41.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.686 ' CZ ' ' CE1' ' A' ' 130' ' ' PHE . 22.7 m-85 -67.51 148.33 98.65 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.718 0.771 . . . . 0.0 110.877 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 143.8 52.09 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.691 2.26 . . . . 0.0 112.316 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 56.0 p -146.53 167.05 24.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.85 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.0 m -129.87 169.9 20.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.131 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.8 t -59.46 150.59 26.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 79.7 t90 -62.36 154.3 28.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -138.54 132.54 16.51 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.693 0.759 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -29.65 23.52 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.642 2.228 . . . . 0.0 112.393 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 t -93.31 128.83 39.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -49.78 -36.92 27.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.829 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 64' ' ' LEU . 31.3 tp60 -72.84 -67.58 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 63' ' ' GLN . 8.7 mp -34.38 -42.99 0.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.3 -58.07 9.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.962 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 56.6 mtp180 -62.31 -37.7 86.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -57.76 -59.13 5.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.34 -33.67 76.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 48.3 tp -54.33 -52.38 61.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 71' ' ' GLN . 69.5 mt -64.4 -53.78 43.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 70' ' ' LEU . 13.7 mm-40 -35.29 -55.22 0.64 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -57.34 -50.77 71.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.7 mt -49.64 -50.04 44.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -52.4 -40.54 62.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -52.07 -32.66 35.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.502 ' CD2' HG11 ' A' ' 39' ' ' VAL . 82.8 m95 -86.04 -70.32 0.61 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.988 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.402 ' CA ' HG21 ' A' ' 115' ' ' VAL . . . -79.11 -71.19 0.45 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 149.91 -100.07 0.2 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.513 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.86 113.38 3.37 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.661 2.24 . . . . 0.0 112.373 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -125.15 136.85 28.71 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.629 0.728 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -168.6 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.667 2.245 . . . . 0.0 112.32 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -131.41 -67.05 0.71 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 72.1 p -55.63 -40.7 72.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -43.75 -43.99 6.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.888 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 47.1 tp -53.8 130.82 38.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 58.0 mtt180 -149.38 127.28 11.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 -68.65 122.37 18.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.823 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 20.0 mt -125.96 91.17 3.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 71.67 -170.11 49.27 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.521 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -148.95 171.07 16.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.935 0.398 . . . . 0.0 110.837 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.456 HG22 ' CG2' ' A' ' 104' ' ' VAL . 43.3 t -142.27 107.23 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.146 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 55.0 t -116.09 107.21 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.745 ' CD2' ' CE1' ' A' ' 95' ' ' PHE . 8.7 t60 -101.71 146.6 27.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 31.4 m -111.43 115.73 29.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.128 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.745 ' CE1' ' CD2' ' A' ' 93' ' ' HIS . 29.1 m-85 -102.84 174.5 5.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.542 ' O ' ' N ' ' A' ' 98' ' ' ILE . 2.5 m -46.9 124.36 6.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.582 ' CG ' ' O ' ' A' ' 97' ' ' HIS . 0.7 OUTLIER 35.24 29.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.542 ' N ' ' O ' ' A' ' 96' ' ' SER . 61.4 mt -146.61 151.12 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.103 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.1 ttpt -135.15 123.07 22.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -107.85 150.47 26.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.854 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 92.4 m -134.19 106.01 6.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -105.0 142.11 35.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 43.6 mm-40 -105.51 114.58 28.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.456 ' CG2' HG22 ' A' ' 91' ' ' VAL . 61.9 t -70.06 123.08 23.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.088 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -130.97 133.98 46.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.965 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -103.19 149.89 17.6 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.462 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.411 ' C ' ' CD1' ' A' ' 107' ' ' LEU . 0.4 OUTLIER -167.33 123.85 1.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.887 0.375 . . . . 0.0 110.95 -179.889 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -150.22 161.57 42.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.089 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 65.9 mt -105.98 102.09 11.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.908 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.147 0 CA-C-O 120.829 0.262 . . . . 0.0 112.329 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.453 ' O ' ' C ' ' A' ' 116' ' ' THR . 5.1 p -112.04 -37.0 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.156 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.453 ' C ' ' O ' ' A' ' 115' ' ' VAL . 7.7 p 34.01 38.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.122 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.405 ' N ' ' O ' ' A' ' 115' ' ' VAL . 24.4 m -154.64 121.77 5.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.409 ' CG2' ' HB2' ' A' ' 122' ' ' ALA . 9.4 p -163.82 130.24 2.32 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.578 0.704 . . . . 0.0 111.123 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 168.43 21.54 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.634 2.223 . . . . 0.0 112.37 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -0.73 7.29 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.66 2.24 . . . . 0.0 112.343 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -100.63 4.36 56.49 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.493 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.414 ' HB1' ' CE3' ' A' ' 76' ' ' TRP . . . -135.68 169.11 18.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.761 0.315 . . . . 0.0 111.094 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.474 ' CZ ' ' HB2' ' A' ' 123' ' ' ARG . 2.9 ptm85 -153.06 146.23 24.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 29.2 m95 -105.95 106.47 17.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.3 pp -120.81 169.17 10.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.928 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 10.2 p -81.8 171.03 15.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.163 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 16.6 mp0 -60.23 -47.54 85.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -64.63 -40.53 95.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -59.77 -33.75 72.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.96 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.686 ' CE1' ' CZ ' ' A' ' 53' ' ' PHE . 4.8 t80 -61.92 -60.79 3.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . 0.441 ' C ' ' O ' ' A' ' 130' ' ' PHE . 19.1 m-70 -34.45 -58.07 0.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.825 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 82.2 p -62.79 -43.04 99.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.131 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -40.56 148.95 0.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -70.05 95.28 0.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.169 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.42 ' HB ' ' CG ' ' A' ' 140' ' ' LYS . 2.0 t -128.77 143.64 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 13.9 m -72.7 152.96 41.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.424 ' CG2' ' HD2' ' A' ' 141' ' ' LYS . 31.8 m -43.53 -65.72 0.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.149 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 137' ' ' THR . . . -34.56 -69.93 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.15 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 40.2 mmm -51.24 -44.52 61.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . 0.42 ' CG ' ' HB ' ' A' ' 135' ' ' VAL . 53.6 mttt -59.73 -23.97 63.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.424 ' HD2' ' CG2' ' A' ' 137' ' ' THR . 36.2 mtpt -82.42 -31.62 29.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 91.2 t -68.15 -11.25 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.083 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -86.0 -63.07 1.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -49.12 -25.26 2.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 97.0 t -80.18 -43.65 22.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -61.69 -41.08 97.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.961 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.908 -179.992 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.138 0 CA-C-O 120.746 0.228 . . . . 0.0 112.315 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 16' ' ' PRO . 43.8 mtt180 -37.63 -56.34 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.866 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -91.17 100.13 13.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -140.25 113.35 8.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.8 p -118.48 142.45 47.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.834 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.3 m -157.33 156.69 32.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.94 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -124.65 117.95 25.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.447 ' CG2' HG12 ' A' ' 142' ' ' VAL . 14.8 t -111.17 151.03 28.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.2 t -126.42 159.3 33.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.856 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 77.7 t -113.6 91.15 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 31.8 tp -78.54 117.69 19.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.465 ' HG2' ' N ' ' A' ' 28' ' ' GLN . 9.9 tt0 -131.97 145.84 51.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.465 ' N ' ' HG2' ' A' ' 27' ' ' GLU . 0.5 OUTLIER -135.6 149.41 69.14 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.577 0.703 . . . . 0.0 110.99 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 121.68 8.38 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.726 2.284 . . . . 0.0 112.393 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -119.14 166.87 13.14 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.486 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.54 -55.85 8.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.845 0.355 . . . . 0.0 111.102 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 74.7 mt -60.52 -43.16 97.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.73 -69.08 0.1 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.51 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -164.72 157.23 16.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.71 0.29 . . . . 0.0 111.121 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -144.78 145.68 31.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.0 pt -111.03 176.53 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 36.2 tp -110.98 142.39 43.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.469 HD12 ' CE1' ' A' ' 53' ' ' PHE . 11.2 tp -140.25 121.12 14.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 28.3 m -111.43 141.67 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -93.3 163.21 13.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.983 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 121.559 0.695 . . . . 0.0 110.91 -179.932 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.772 0.32 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.46 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 97.2 m95 -80.79 132.42 35.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -161.92 152.36 17.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.617 ' CZ ' ' CE1' ' A' ' 130' ' ' PHE . 9.1 m-85 -57.1 148.25 52.02 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.639 0.733 . . . . 0.0 110.87 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.73 140.9 43.91 Favored 'Trans proline' 0 N--CA 1.465 -0.2 0 C-N-CA 122.733 2.289 . . . . 0.0 112.381 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.0 p -139.18 163.84 31.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.832 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.426 ' CG1' ' HA ' ' A' ' 69' ' ' LEU . 17.7 m -127.01 179.61 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 19.0 p -67.41 139.98 57.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.561 ' CH2' ' HA ' ' A' ' 60' ' ' PRO . 83.9 t90 -51.45 162.05 0.4 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.406 ' HB2' ' CD ' ' A' ' 65' ' ' GLN . 5.4 mm-40 -151.95 129.05 5.56 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.607 0.718 . . . . 0.0 110.945 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.561 ' HA ' ' CH2' ' A' ' 58' ' ' TRP . 53.5 Cg_endo -69.76 -29.07 24.45 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.708 2.272 . . . . 0.0 112.325 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.1 t -93.56 132.65 37.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.829 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.434 ' HG2' ' N ' ' A' ' 63' ' ' GLN . 0.6 OUTLIER -53.06 -37.21 61.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.434 ' N ' ' HG2' ' A' ' 62' ' ' GLU . 44.2 tt0 -72.48 -66.49 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 63' ' ' GLN . 9.3 mp -36.67 -41.75 0.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.406 ' CD ' ' HB2' ' A' ' 59' ' ' GLU . 8.2 tp60 -57.51 -48.41 79.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.427 ' HG2' ' CD2' ' A' ' 85' ' ' LEU . 16.6 mtp180 -72.23 -32.13 66.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -58.23 -59.66 4.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.86 -38.9 73.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.426 ' HA ' ' CG1' ' A' ' 56' ' ' VAL . 53.2 tp -51.41 -53.86 32.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 71' ' ' GLN . 83.0 mt -64.27 -50.12 69.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.447 ' HA ' ' NE2' ' A' ' 74' ' ' GLN . 14.4 mm-40 -35.94 -48.37 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.1 tp10 -65.61 -58.02 6.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.94 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.2 mt -40.23 -54.87 2.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.447 ' NE2' ' HA ' ' A' ' 71' ' ' GLN . 44.8 mt-30 -48.24 -38.06 17.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -55.13 -31.36 61.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 60.5 m95 -88.62 -71.88 0.57 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.8 -72.92 0.26 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.11 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 150.8 -97.63 0.18 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.506 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 108.2 2.03 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.752 2.302 . . . . 0.0 112.29 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -119.43 126.84 26.77 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.675 0.75 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -179.44 2.93 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.675 2.25 . . . . 0.0 112.368 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -120.55 -72.51 0.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.104 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 47.8 m -49.64 -49.89 45.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.191 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 -39.01 -36.23 0.27 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.427 ' CD2' ' HG2' ' A' ' 66' ' ' ARG . 25.0 tp -64.33 128.25 34.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 28.8 mtt85 -145.19 105.28 4.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.44 ' NE2' ' O ' ' A' ' 89' ' ' GLY . 13.2 t-80 -42.2 129.09 3.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 25.6 mt -123.94 90.03 3.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.44 ' O ' ' NE2' ' A' ' 87' ' ' HIS . . . 60.84 -170.3 8.12 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.495 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -146.44 171.02 15.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.921 0.391 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.464 HG22 ' CG2' ' A' ' 104' ' ' VAL . 77.3 t -140.58 117.03 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.199 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.6 t -129.91 106.4 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.077 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 37.7 t60 -98.68 107.0 19.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.848 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.7 p -79.7 101.68 8.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.135 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.423 ' N ' ' O ' ' A' ' 98' ' ' ILE . 64.8 m-85 -70.93 -179.88 2.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.9 t -47.77 -68.06 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.923 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.567 ' CD2' HG13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -120.27 28.04 8.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.567 HG13 ' CD2' ' A' ' 97' ' ' HIS . 60.8 mt -144.55 146.76 19.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 28.1 tttm -126.77 118.06 23.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.464 ' CD2' HG21 ' A' ' 98' ' ' ILE . 4.1 mm? -105.5 140.72 38.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.994 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 90.9 m -123.63 109.33 13.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.109 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -109.09 139.58 43.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.94 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -103.48 110.09 21.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.836 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.464 ' CG2' HG22 ' A' ' 91' ' ' VAL . 65.7 t -69.94 123.97 24.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.148 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -134.04 127.17 31.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -109.29 119.49 5.53 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.514 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.427 ' C ' ' CD1' ' A' ' 107' ' ' LEU . 1.7 tm? -135.31 109.58 8.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.867 0.365 . . . . 0.0 110.913 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -124.22 140.37 53.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.078 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 87.6 mt -78.2 101.45 7.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 179.943 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.23 0.111 0 CA-C-O 120.844 0.269 . . . . 0.0 112.318 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.426 ' CG2' ' O ' ' A' ' 117' ' ' THR . 10.3 p -94.56 -45.69 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.118 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 43.7 p 45.86 30.4 0.86 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.426 ' O ' ' CG2' ' A' ' 115' ' ' VAL . 5.8 t -170.0 151.25 3.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.471 ' CG2' ' HD2' ' A' ' 119' ' ' PRO . 11.0 p -154.9 137.18 9.89 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.621 0.724 . . . . 0.0 111.145 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.471 ' HD2' ' CG2' ' A' ' 118' ' ' VAL . 54.0 Cg_endo -69.8 169.97 17.71 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.698 2.265 . . . . 0.0 112.306 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 116.73 4.7 Favored 'Trans proline' 0 N--CA 1.464 -0.225 0 C-N-CA 122.738 2.292 . . . . 0.0 112.359 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 127.83 -26.43 4.81 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.406 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -98.44 148.11 24.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.824 0.345 . . . . 0.0 111.105 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.443 ' HB3' ' CZ3' ' A' ' 51' ' ' TRP . 7.1 ttt180 -122.1 141.7 51.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 28.2 m95 -117.4 103.59 10.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.425 HD11 ' C ' ' A' ' 125' ' ' LEU . 1.7 pp -125.67 169.96 12.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 22.7 p -78.27 161.97 26.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -51.45 -43.78 62.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -65.99 -46.8 76.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -50.58 -45.61 57.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.617 ' CE1' ' CZ ' ' A' ' 53' ' ' PHE . 25.1 t80 -50.76 -53.89 28.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.877 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -42.5 -53.4 4.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.855 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 51.9 p -70.86 -33.78 70.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.179 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -52.39 139.55 24.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.033 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.412 ' C ' HG23 ' A' ' 135' ' ' VAL . . . -54.77 96.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.458 ' HB ' ' CG ' ' A' ' 140' ' ' LYS . 3.1 t -132.76 137.85 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 7.9 p -64.94 157.2 28.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.821 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 47.7 m -49.55 -57.76 6.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -45.58 -70.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.033 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 39.0 mmm -46.02 -46.33 16.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . 0.458 ' CG ' ' HB ' ' A' ' 135' ' ' VAL . 73.6 mttt -57.06 -31.43 65.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 15.7 mtpp -73.59 -41.28 63.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.447 HG12 ' CG2' ' A' ' 23' ' ' THR . 69.2 t -53.89 -15.4 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.138 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.446 ' O ' ' N ' ' A' ' 146' ' ' TYR . 87.5 t80 -82.38 -70.2 0.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.912 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -39.71 -29.99 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.4 ' N ' ' O ' ' A' ' 143' ' ' PHE . 86.7 t -69.62 -43.21 80.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . 0.446 ' N ' ' O ' ' A' ' 143' ' ' PHE . 2.4 t80 -66.11 -46.32 78.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.947 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.5 Cg_endo . . . . . 0 C--O 1.232 0.208 0 CA-C-O 120.729 0.221 . . . . 0.0 112.288 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 16' ' ' PRO . 37.9 mtp180 -35.82 -71.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.938 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 1.3 tp10 -85.3 117.84 24.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.443 ' CB ' HD11 ' A' ' 100' ' ' LEU . 17.3 mt-10 -149.92 112.65 4.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.6 m -116.32 140.34 49.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.6 m -154.43 157.35 38.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.887 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -121.18 105.03 10.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.127 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.8 t -99.0 140.4 33.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.174 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 105' ' ' TYR . 46.4 t -113.44 162.91 15.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 74.0 t -117.72 88.82 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 28.4 tp -74.31 123.63 24.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.983 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -136.17 145.02 45.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.468 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 10.2 tt0 -140.2 140.87 24.56 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.609 0.719 . . . . 0.0 110.888 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.468 ' HD2' ' CG ' ' A' ' 28' ' ' GLN . 54.7 Cg_endo -69.71 133.28 25.27 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.673 2.249 . . . . 0.0 112.408 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -126.23 -144.92 6.24 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.48 -65.01 1.04 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.759 0.314 . . . . 0.0 111.047 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.1 mt -57.98 -42.26 84.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.854 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.52 -78.74 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.474 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.45 146.71 13.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.679 0.276 . . . . 0.0 111.118 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -131.31 158.86 39.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.7 pt -109.93 176.52 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.134 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 tp -111.65 140.97 45.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.461 ' CD2' ' HB3' ' A' ' 51' ' ' TRP . 9.4 tp -132.88 144.29 50.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.94 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.47 HG13 ' CE2' ' A' ' 76' ' ' TRP . 4.5 m -119.24 159.39 20.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -106.79 130.37 54.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.4 mmp_? . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 121.596 0.713 . . . . 0.0 110.832 -179.895 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.848 0.356 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.461 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 61.2 m95 -76.84 133.5 39.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.427 ' C ' HD13 ' A' ' 38' ' ' LEU . 5.1 mt-10 -153.02 170.06 21.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.57 ' CZ ' ' CE2' ' A' ' 130' ' ' PHE . 22.7 m-85 -76.6 143.91 72.72 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.639 0.733 . . . . 0.0 110.862 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 139.27 39.82 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.675 2.25 . . . . 0.0 112.359 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 77.3 p -146.71 167.87 22.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.4 m -126.62 177.76 5.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.181 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 29.4 p -66.49 128.41 36.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.114 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 80.0 t90 -44.27 150.8 0.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.421 ' HG3' ' C ' ' A' ' 64' ' ' LEU . 26.6 mm-40 -130.06 136.22 28.7 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.611 0.72 . . . . 0.0 110.897 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -21.77 33.24 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.749 2.3 . . . . 0.0 112.303 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 t -107.14 143.59 35.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.888 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -63.77 -20.78 66.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.852 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.3 tp60 -87.14 -54.41 4.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.421 ' C ' ' HG3' ' A' ' 59' ' ' GLU . 1.9 mp -50.58 -32.19 17.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -64.04 -66.71 0.51 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.962 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 34.0 mtm180 -59.53 -29.25 67.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.819 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.4 mtmt -62.14 -60.24 3.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.15 -31.11 68.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.2 tp -53.76 -57.78 9.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 91.5 mt -58.94 -50.02 75.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -40.89 -34.34 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -79.98 -56.72 4.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 30.7 mt -41.38 -47.16 3.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.954 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -53.6 -37.73 63.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -54.43 -30.32 52.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.47 ' CE2' HG13 ' A' ' 39' ' ' VAL . 61.7 m95 -93.68 -71.6 0.65 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.94 -71.7 0.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.106 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 145.31 -98.62 0.2 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.508 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 106.34 1.66 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.671 2.247 . . . . 0.0 112.353 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -121.37 127.24 26.21 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.61 0.719 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.64 -177.62 1.92 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.675 2.25 . . . . 0.0 112.359 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -124.7 -57.75 1.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.032 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 27.7 m -55.6 -44.66 77.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -54.67 -35.11 63.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 37.5 tp -63.92 130.15 42.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 -151.79 164.08 37.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -99.69 124.74 45.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.832 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.9 mt -126.51 95.36 4.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 68.75 177.07 13.22 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.469 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -134.57 165.09 26.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.844 0.354 . . . . 0.0 110.907 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.468 HG23 ' CG2' ' A' ' 104' ' ' VAL . 58.5 t -137.91 112.05 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.084 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 55.5 t -125.73 106.84 16.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.126 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.706 ' CD2' ' CE1' ' A' ' 95' ' ' PHE . 15.3 t60 -100.94 135.4 42.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.77 119.12 37.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.207 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.706 ' CE1' ' CD2' ' A' ' 93' ' ' HIS . 70.4 m-85 -104.28 178.96 4.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.402 ' O ' ' CG ' ' A' ' 97' ' ' HIS . 22.9 t -52.86 116.34 2.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.797 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.402 ' CG ' ' O ' ' A' ' 96' ' ' SER . 25.5 p-80 42.22 28.83 0.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.504 ' CG2' ' N ' ' A' ' 99' ' ' LYS . 73.0 mt -138.77 159.72 30.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.504 ' N ' ' CG2' ' A' ' 98' ' ' ILE . 5.0 ttpt -139.03 127.19 22.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.929 179.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.443 HD11 ' CB ' ' A' ' 19' ' ' GLU . 3.6 mm? -118.05 143.12 46.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.931 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 92.8 m -129.76 111.15 12.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.104 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -112.1 132.38 54.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.956 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -98.04 115.2 27.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.836 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.468 ' CG2' HG23 ' A' ' 91' ' ' VAL . 67.4 t -71.17 123.93 26.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.065 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.4 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 22.4 m-85 -134.99 103.92 5.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -84.67 134.66 12.85 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -151.69 115.38 4.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 110.925 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -131.78 157.18 44.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 67.4 mt -88.89 106.59 18.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.974 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.974 179.922 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.196 0 CA-C-O 120.826 0.261 . . . . 0.0 112.37 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.431 ' O ' ' C ' ' A' ' 116' ' ' THR . 7.5 p -120.72 -39.48 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 115' ' ' VAL . 5.8 p 34.6 45.02 0.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 80.1 m -165.89 120.94 1.23 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.149 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.436 ' CG2' ' HD2' ' A' ' 119' ' ' PRO . 13.5 p -144.88 136.08 12.52 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.577 0.703 . . . . 0.0 111.205 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.436 ' HD2' ' CG2' ' A' ' 118' ' ' VAL . 53.6 Cg_endo -69.72 165.56 30.51 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.744 2.296 . . . . 0.0 112.288 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 97.23 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.724 2.283 . . . . 0.0 112.33 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 146.04 -10.26 1.58 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.486 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -114.16 153.96 28.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.341 . . . . 0.0 111.09 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 11.8 ttm-85 -132.63 148.67 52.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 37.1 m95 -112.38 101.47 9.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.957 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.433 ' HB2' ' CB ' ' A' ' 129' ' ' GLU . 1.5 pp -120.96 169.54 10.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.945 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 5.3 p -91.07 164.47 13.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -48.78 -47.11 42.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -61.83 -38.85 89.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.433 ' CB ' ' HB2' ' A' ' 125' ' ' LEU . 36.5 mm-40 -63.93 -47.25 81.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.57 ' CE2' ' CZ ' ' A' ' 53' ' ' PHE . 9.7 t80 -49.78 -55.32 14.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.823 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 130' ' ' PHE . 3.2 m-70 -38.21 -63.19 0.51 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 64.0 p -57.9 -27.45 63.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.187 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 130' ' ' PHE . . . -57.07 153.59 11.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.075 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -80.24 99.64 7.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.143 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.44 HG23 ' CE2' ' A' ' 130' ' ' PHE . 0.5 OUTLIER -130.91 158.49 43.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 137' ' ' THR . 3.6 p -85.46 149.27 25.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 140' ' ' LYS . 55.5 m -34.42 -68.6 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.185 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.406 ' HA ' ' CG ' ' A' ' 141' ' ' LYS . . . -38.61 -59.42 0.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 44.5 mmm -58.96 -29.23 67.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 137' ' ' THR . 14.0 mtpt -76.74 -31.63 57.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.879 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.468 ' CD ' HG12 ' A' ' 91' ' ' VAL . 0.1 OUTLIER -89.76 -11.66 41.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.7 t -74.61 -18.8 16.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.487 ' CZ ' ' CD ' ' A' ' 147' ' ' GLN . 38.7 t80 -91.23 -47.52 7.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.5 -19.26 14.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.857 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 30.3 t -82.75 -19.28 10.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.094 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -94.29 -31.08 14.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . 0.487 ' CD ' ' CZ ' ' A' ' 143' ' ' PHE . 19.3 mt-30 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.1 Cg_endo . . . . . 0 N--CA 1.466 -0.146 0 CA-C-O 120.822 0.259 . . . . 0.0 112.348 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 16' ' ' PRO . 19.1 mtp180 -33.32 -74.07 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 3.5 tp10 -85.56 119.03 25.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -149.56 112.48 4.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.92 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.2 m -115.77 137.32 52.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.806 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.7 m -154.38 155.47 35.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.865 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -117.94 112.31 20.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.065 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.8 t -103.8 141.78 35.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.411 ' SG ' ' N ' ' A' ' 25' ' ' VAL . 16.1 t -125.59 158.68 34.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.411 ' N ' ' SG ' ' A' ' 24' ' ' CYS . 84.6 t -113.35 124.62 70.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.173 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.9 tp -109.51 118.9 37.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -126.62 147.48 49.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.83 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.443 ' HG2' ' CZ3' ' A' ' 124' ' ' TRP . 3.4 pt20 -138.79 149.37 61.79 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.671 0.748 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 117.08 4.87 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.66 2.24 . . . . 0.0 112.333 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -106.75 -160.39 21.91 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.473 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.77 -62.24 1.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.802 0.334 . . . . 0.0 111.07 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 34.3 mt -61.46 -45.85 92.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -168.67 -85.42 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.511 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -156.8 156.19 32.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.723 0.296 . . . . 0.0 111.119 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.459 ' CG ' HG22 ' A' ' 126' ' ' THR . 13.4 mt-30 -139.08 153.44 48.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.6 pt -112.27 173.03 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.121 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.2 tp -103.92 134.3 47.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.42 HD23 ' CD2' ' A' ' 125' ' ' LEU . 10.0 tp -134.86 123.9 24.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.971 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.482 HG11 ' CD2' ' A' ' 76' ' ' TRP . 23.6 m -106.58 157.8 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.214 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -105.14 147.14 28.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 42.8 mtp180 . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 121.619 0.723 . . . . 0.0 110.855 -179.909 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.752 0.31 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 79.6 m95 -114.96 124.87 52.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.933 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -153.84 156.11 37.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.685 ' CZ ' ' CE1' ' A' ' 130' ' ' PHE . 24.3 m-85 -58.42 146.82 70.83 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.62 0.724 . . . . 0.0 110.923 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 139.8 41.28 Favored 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.721 2.281 . . . . 0.0 112.368 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 85.4 p -146.08 165.06 30.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.1 m -126.22 171.41 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.7 t -56.32 153.82 9.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 85.2 t90 -68.11 142.45 55.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -125.59 130.35 24.11 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.692 0.758 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -22.96 31.38 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.683 2.256 . . . . 0.0 112.321 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.3 t -95.28 137.09 34.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -59.01 -24.28 62.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -86.2 -62.37 1.53 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.5 mp -39.49 -38.72 0.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -57.65 -54.67 44.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.406 ' NH2' ' O ' ' A' ' 82' ' ' ALA . 65.5 mtp180 -65.43 -52.21 54.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -44.7 -68.09 0.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.939 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.56 -46.85 83.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.069 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.3 tp -43.2 -43.53 4.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 71' ' ' GLN . 53.2 mt -76.11 -48.6 20.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.956 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 70' ' ' LEU . 82.8 mt-30 -35.29 -48.46 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.3 tp10 -66.97 -55.06 16.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.5 mt -41.94 -46.97 4.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -56.2 -43.4 78.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.941 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 47.8 mtp180 -49.47 -32.73 12.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.482 ' CD2' HG11 ' A' ' 39' ' ' VAL . 71.9 m95 -87.11 -69.38 0.69 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.406 ' C ' HG22 ' A' ' 115' ' ' VAL . . . -76.49 -70.41 0.45 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.081 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 147.76 -102.3 0.24 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.456 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 108.22 2.04 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.636 2.224 . . . . 0.0 112.305 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -119.87 132.97 23.87 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.548 0.689 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.451 ' CG ' HD12 ' A' ' 107' ' ' LEU . 53.8 Cg_endo -69.74 -168.49 0.28 Allowed 'Trans proline' 0 C--N 1.34 0.111 0 C-N-CA 122.68 2.253 . . . . 0.0 112.354 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.406 ' O ' ' NH2' ' A' ' 66' ' ' ARG . . . -132.25 -59.11 0.93 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.136 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 88.0 m -57.77 -42.87 84.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -51.77 -24.92 6.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.822 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 26.7 tp -75.76 129.29 36.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -149.78 149.43 30.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 -87.14 126.19 34.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.6 mt -127.66 92.8 3.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 69.07 -170.35 41.3 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.46 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -143.33 170.53 15.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.807 0.337 . . . . 0.0 110.93 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.47 HG11 ' CD ' ' A' ' 141' ' ' LYS . 40.4 t -143.23 105.09 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 90.5 t -118.83 111.86 35.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.092 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.479 ' CD2' ' CE1' ' A' ' 95' ' ' PHE . 27.5 t60 -105.04 147.82 27.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 45.1 m -118.93 114.89 23.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.181 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.479 ' CE1' ' CD2' ' A' ' 93' ' ' HIS . 85.9 m-85 -99.61 -176.49 3.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.49 ' O ' ' CG ' ' A' ' 97' ' ' HIS . 10.9 m -51.42 114.37 1.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.49 ' CG ' ' O ' ' A' ' 96' ' ' SER . 12.4 p-80 43.96 28.26 0.24 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.813 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.463 ' CG2' ' N ' ' A' ' 99' ' ' LYS . 26.8 mt -137.48 156.24 32.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.184 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.463 ' N ' ' CG2' ' A' ' 98' ' ' ILE . 0.0 OUTLIER -137.9 127.03 24.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.835 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.411 HD11 ' CE1' ' A' ' 102' ' ' TYR . 1.3 mm? -117.5 142.9 46.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.972 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 35.0 m -127.76 111.27 13.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.158 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.411 ' CE1' HD11 ' A' ' 100' ' ' LEU . 68.2 m-85 -112.15 137.05 50.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -100.31 120.28 39.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.462 ' CG2' HG12 ' A' ' 145' ' ' VAL . 59.1 t -73.81 127.41 35.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.134 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -136.88 137.6 39.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -113.71 148.69 18.69 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.508 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.451 HD12 ' CG ' ' A' ' 81' ' ' PRO . 0.4 OUTLIER -162.44 106.51 1.15 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.776 0.322 . . . . 0.0 110.888 -179.879 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -124.23 140.86 52.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.078 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 85.3 mt -84.98 104.82 15.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.972 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 179.928 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.153 0 CA-C-O 120.824 0.26 . . . . 0.0 112.34 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.451 ' O ' ' C ' ' A' ' 116' ' ' THR . 5.9 p -103.86 -41.81 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 115' ' ' VAL . 22.7 p 34.2 45.38 0.12 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 85.3 m -160.89 122.35 2.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.075 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.461 ' CG2' ' HD2' ' A' ' 119' ' ' PRO . 6.3 p -165.57 135.83 2.88 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.58 0.705 . . . . 0.0 111.131 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.461 ' HD2' ' CG2' ' A' ' 118' ' ' VAL . 53.6 Cg_endo -69.77 168.5 21.4 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.685 2.257 . . . . 0.0 112.325 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 -0.28 6.67 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.701 2.267 . . . . 0.0 112.294 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -100.43 -5.22 54.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.53 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -126.19 150.33 48.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.728 0.299 . . . . 0.0 111.096 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -132.18 153.18 50.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.829 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' TRP . . . . . 0.443 ' CZ3' ' HG2' ' A' ' 28' ' ' GLN . 31.6 m95 -111.47 100.56 9.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.424 HD11 ' C ' ' A' ' 125' ' ' LEU . 2.6 pp -115.4 170.06 8.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' THR . . . . . 0.459 HG22 ' CG ' ' A' ' 35' ' ' GLN . 4.5 p -87.15 167.39 14.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.149 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -52.04 -41.2 62.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -67.6 -50.94 55.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.946 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -52.93 -37.37 60.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.685 ' CE1' ' CZ ' ' A' ' 53' ' ' PHE . 4.0 t80 -55.25 -56.2 22.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -51.35 -45.01 62.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.805 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 20.4 p -75.04 -7.43 53.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -80.89 176.26 9.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.016 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -94.73 95.79 8.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -125.73 157.79 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.159 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 139' ' ' MET . 2.5 m -83.78 141.7 31.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.435 ' C ' ' O ' ' A' ' 136' ' ' SER . 97.0 m -33.4 -69.26 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.188 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -40.31 -40.62 1.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' MET . . . . . 0.442 ' N ' ' O ' ' A' ' 136' ' ' SER . 20.6 mmm -72.19 -39.91 68.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.838 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 137' ' ' THR . 3.0 mtpm? -66.11 -22.22 66.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.952 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.47 ' CD ' HG11 ' A' ' 91' ' ' VAL . 8.6 ptpt -96.11 -10.18 28.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 8.8 t -76.94 -25.59 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.49 ' CZ ' ' HG3' ' A' ' 147' ' ' GLN . 83.4 t80 -77.73 -57.19 3.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.44 ' CD ' ' HA ' ' A' ' 141' ' ' LYS . 6.9 ptm180 -46.95 -26.87 1.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.462 HG12 ' CG2' ' A' ' 104' ' ' VAL . 96.5 t -80.23 -36.6 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . 0.561 ' CE2' ' OE1' ' A' ' 147' ' ' GLN . 2.2 t80 -69.43 -32.36 71.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . 0.561 ' OE1' ' CE2' ' A' ' 146' ' ' TYR . 12.3 mm100 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.233 0.235 0 CA-C-O 120.778 0.241 . . . . 0.0 112.266 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.4 mtt180 -38.13 -59.25 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -97.02 100.21 11.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -139.31 113.48 8.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.942 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.3 m -114.87 147.3 40.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.811 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 24.4 m -155.25 153.12 30.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.853 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -117.64 109.38 16.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.088 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.5 t -102.91 139.62 38.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.164 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.471 ' SG ' ' N ' ' A' ' 25' ' ' VAL . 1.4 t -118.44 159.34 23.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.471 ' N ' ' SG ' ' A' ' 24' ' ' CYS . 69.5 t -113.55 87.74 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 27.6 tp -73.12 122.55 22.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -126.27 154.06 43.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.929 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.454 ' NE2' HG11 ' A' ' 115' ' ' VAL . 4.2 pt20 -138.63 150.7 66.89 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.628 0.728 . . . . 0.0 110.878 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 121.32 8.01 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.676 2.25 . . . . 0.0 112.312 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -114.85 147.37 18.89 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.538 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -45.87 -66.85 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.805 0.336 . . . . 0.0 111.053 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.7 mt -60.51 -39.88 89.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.958 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -167.79 -104.59 0.18 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.457 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -160.39 147.53 15.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.69 0.281 . . . . 0.0 111.174 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -132.71 158.54 42.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.6 pt -113.96 175.11 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.0 tp -101.62 149.85 23.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.966 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.454 ' CD2' ' HB3' ' A' ' 51' ' ' TRP . 10.4 tp -145.42 121.82 10.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.9 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.4 m -106.63 145.02 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.179 179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.464 ' HB2' ' CZ3' ' A' ' 51' ' ' TRP . 52.4 tt0 -100.41 158.27 16.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 49.3 mtt-85 . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 121.619 0.723 . . . . 0.0 110.891 -179.894 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.5 mm? . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.834 0.35 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.464 ' CZ3' ' HB2' ' A' ' 40' ' ' GLN . 97.6 m95 -98.21 131.22 44.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.424 ' CB ' ' HG3' ' A' ' 139' ' ' MET . 1.2 pm0 -158.65 148.23 19.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.601 ' CZ ' ' CE2' ' A' ' 130' ' ' PHE . 5.5 m-85 -51.05 151.23 4.79 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.689 0.757 . . . . 0.0 110.838 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 143.95 52.25 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.764 2.309 . . . . 0.0 112.306 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 75.8 p -146.52 168.5 21.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.467 HG13 ' CB ' ' A' ' 72' ' ' GLU . 5.2 m -133.45 173.49 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.044 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.5 p -55.88 143.5 31.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.196 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.546 ' CH2' ' HA ' ' A' ' 60' ' ' PRO . 80.1 t90 -60.51 164.07 4.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.954 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.445 ' N ' ' CG ' ' A' ' 58' ' ' TRP . 38.0 mm-40 -143.5 134.65 12.58 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.596 0.712 . . . . 0.0 110.895 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.546 ' HA ' ' CH2' ' A' ' 58' ' ' TRP . 54.0 Cg_endo -69.67 -21.84 33.33 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.643 2.229 . . . . 0.0 112.405 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.6 t -106.49 156.54 18.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -71.71 -36.6 70.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -73.36 -51.63 16.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.849 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.1 mp -51.05 -36.25 38.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.425 ' HA ' ' NE2' ' A' ' 65' ' ' GLN . 6.4 tp60 -62.05 -57.7 10.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.917 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -59.96 -49.19 78.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.3 mtmp? -42.82 -67.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.507 ' O ' ' N ' ' A' ' 70' ' ' LEU . . . -61.61 -55.28 32.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 68' ' ' ALA . 20.1 tp -34.84 -31.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.507 ' N ' ' O ' ' A' ' 68' ' ' ALA . 90.7 mt -90.47 -43.41 10.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 68' ' ' ALA . 5.6 pt20 -46.85 -26.54 1.0 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.467 ' CB ' HG13 ' A' ' 56' ' ' VAL . 6.6 tp10 -91.57 -46.51 7.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.6 mt -50.51 -48.88 56.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -52.19 -43.5 64.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.969 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -51.91 -32.75 33.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.446 ' O ' ' CD ' ' A' ' 119' ' ' PRO . 81.0 m95 -88.7 -67.21 0.85 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.956 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.461 ' CA ' HG21 ' A' ' 115' ' ' VAL . . . -79.19 -72.78 0.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.049 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 150.08 -100.16 0.2 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.469 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 112.6 3.13 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.684 2.256 . . . . 0.0 112.313 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -126.28 124.08 24.38 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.643 0.735 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.423 ' HG2' ' CD2' ' A' ' 107' ' ' LEU . 54.1 Cg_endo -69.71 168.75 20.6 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.622 2.215 . . . . 0.0 112.338 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -113.69 -52.21 2.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.25 -32.35 72.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -60.9 -36.22 78.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 21.7 tp -59.77 153.18 21.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 28.1 ptt-85 -167.31 157.79 11.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.84 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -93.4 117.33 29.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.823 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 16.7 mt -122.2 91.89 3.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.72 -175.91 21.46 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.477 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -149.47 169.35 21.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.859 0.361 . . . . 0.0 110.916 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.462 HG22 ' CG2' ' A' ' 104' ' ' VAL . 87.0 t -141.69 107.87 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.122 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 27.5 t -113.66 107.08 22.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.145 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.686 ' CD2' ' CE1' ' A' ' 95' ' ' PHE . 9.7 t60 -101.61 157.27 16.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.834 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.576 ' N ' ' CD2' ' A' ' 93' ' ' HIS . 19.3 m -126.84 123.89 38.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.188 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.686 ' CE1' ' CD2' ' A' ' 93' ' ' HIS . 29.1 m-85 -107.73 -179.85 4.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.539 ' O ' ' N ' ' A' ' 98' ' ' ILE . 5.6 m -48.25 125.38 9.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.587 ' CG ' ' O ' ' A' ' 97' ' ' HIS . 0.7 OUTLIER 34.62 30.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.851 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.539 ' N ' ' O ' ' A' ' 96' ' ' SER . 52.3 mt -146.0 157.62 12.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.155 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.465 ' HD2' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -139.78 130.69 26.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.825 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.465 ' N ' ' HD2' ' A' ' 99' ' ' LYS . 3.6 mm? -115.58 152.73 32.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.95 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 96.0 m -135.38 111.4 9.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.128 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -110.09 134.39 52.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 51.5 mm-40 -102.32 115.71 31.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.925 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.462 ' CG2' HG22 ' A' ' 91' ' ' VAL . 51.8 t -71.72 127.04 33.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.068 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -139.18 121.61 16.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -97.17 140.74 15.22 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.47 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.433 ' C ' ' CD1' ' A' ' 107' ' ' LEU . 2.1 tm? -155.09 119.3 4.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.797 0.332 . . . . 0.0 110.925 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -126.05 156.7 39.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 26.1 mt -91.44 128.37 37.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 179.932 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.464 -0.209 0 CA-C-O 120.832 0.263 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.57 HG12 ' CZ2' ' A' ' 124' ' ' TRP . 7.2 p -120.39 44.93 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.177 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.64 -4.52 0.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.176 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.447 ' H ' ' C ' ' A' ' 115' ' ' VAL . 6.9 m -110.65 109.01 19.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.476 ' CG2' ' HD2' ' A' ' 119' ' ' PRO . 13.1 p -124.75 136.71 28.3 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.677 0.751 . . . . 0.0 111.155 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 118' ' ' VAL . 53.8 Cg_endo -69.75 167.43 24.44 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.705 2.27 . . . . 0.0 112.292 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 108.44 2.07 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.669 2.246 . . . . 0.0 112.341 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 134.26 -13.41 4.62 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.561 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -110.52 152.59 26.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.709 0.29 . . . . 0.0 111.174 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 11.6 ttm-85 -134.68 149.75 50.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.826 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' TRP . . . . . 0.57 ' CZ2' HG12 ' A' ' 115' ' ' VAL . 45.0 m95 -119.0 108.33 14.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.424 HD11 ' C ' ' A' ' 125' ' ' LEU . 1.6 pp -121.97 169.84 10.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 10.7 p -82.37 167.94 18.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -63.22 -34.86 78.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -75.71 -18.27 59.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -81.36 -49.1 11.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.847 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.601 ' CE2' ' CZ ' ' A' ' 53' ' ' PHE . 15.0 t80 -46.28 -40.21 11.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.825 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -58.74 -41.42 86.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 28.7 p -84.74 -18.07 36.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.079 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -67.24 170.29 7.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.081 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -92.68 97.03 10.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.091 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.551 HG22 ' CE2' ' A' ' 130' ' ' PHE . 1.1 t -123.09 154.74 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 137' ' ' THR . 27.2 t -78.09 138.36 38.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.444 ' C ' ' O ' ' A' ' 136' ' ' SER . 32.2 m -34.4 -69.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.148 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 137' ' ' THR . . . -35.21 -47.59 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.092 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' MET . . . . . 0.424 ' HG3' ' CB ' ' A' ' 52' ' ' GLU . 34.4 mmm -67.61 -48.31 67.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 11.7 mtpt -56.53 -17.56 8.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -91.03 -18.54 24.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 71.2 t -76.73 -44.43 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.147 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.417 ' CZ ' ' CD ' ' A' ' 147' ' ' GLN . 37.5 t80 -56.38 -55.14 37.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -53.18 -35.72 60.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 75.4 t -72.64 -27.78 26.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.196 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -78.68 -46.41 19.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.918 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . 0.417 ' CD ' ' CZ ' ' A' ' 143' ' ' PHE . 20.7 mt-30 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.146 0 CA-C-O 120.778 0.241 . . . . 0.0 112.286 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 16' ' ' PRO . 18.4 mtm180 -37.85 -37.82 0.26 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -107.3 100.19 9.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.441 ' CB ' HD11 ' A' ' 100' ' ' LEU . 10.9 mt-10 -143.59 113.62 7.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.4 m -124.93 138.41 54.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.808 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.0 m -155.75 156.43 34.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -122.88 108.05 12.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.068 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.471 ' CG2' HG13 ' A' ' 142' ' ' VAL . 14.5 t -96.31 149.19 21.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.9 t -124.8 151.2 45.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.481 HG12 ' CD2' ' A' ' 146' ' ' TYR . 93.4 t -101.71 113.42 37.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 61.0 tp -98.43 104.03 16.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -116.7 142.25 47.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -130.18 147.77 67.07 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.611 0.72 . . . . 0.0 110.954 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 121.37 8.06 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.685 2.256 . . . . 0.0 112.319 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -114.84 170.34 13.22 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.458 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.84 -52.14 66.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.842 0.353 . . . . 0.0 111.14 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 84.8 mt -68.96 -42.76 76.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.1 -94.38 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -148.09 163.29 37.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.694 0.283 . . . . 0.0 111.148 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -151.51 138.36 18.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.7 pt -100.7 175.67 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.122 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.9 tp -108.74 142.73 38.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.458 ' CD2' ' HB3' ' A' ' 51' ' ' TRP . 8.3 tp -136.14 137.88 41.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.568 HG11 ' CE3' ' A' ' 76' ' ' TRP . 27.7 m -131.09 139.49 50.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.144 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -70.48 156.22 39.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 121.661 0.743 . . . . 0.0 110.83 -179.878 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.453 ' N ' HD21 ' A' ' 50' ' ' LEU . 2.5 mm? . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.791 0.329 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.458 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 57.9 m95 -75.79 108.65 8.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.416 ' C ' HD13 ' A' ' 38' ' ' LEU . 0.7 OUTLIER -132.82 160.4 37.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.701 ' CZ ' ' CE2' ' A' ' 130' ' ' PHE . 25.1 m-85 -67.04 145.5 98.87 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.573 0.701 . . . . 0.0 110.965 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 139.66 40.73 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.625 2.216 . . . . 0.0 112.377 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 65.2 p -146.69 172.04 14.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.8 m -129.33 178.66 4.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.5 t -65.09 145.8 55.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 76.6 t90 -56.26 153.88 8.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.974 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -138.22 130.6 16.17 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.613 0.721 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -27.48 26.26 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.59 2.193 . . . . 0.0 112.355 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.6 m -94.06 150.28 20.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -68.86 -35.46 76.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -77.95 -57.42 3.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.964 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.8 mp -41.07 -42.46 1.97 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.95 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.444 ' HA ' ' NE2' ' A' ' 65' ' ' GLN . 0.0 OUTLIER -56.92 -54.0 51.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.893 179.919 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.452 ' NH2' ' O ' ' A' ' 85' ' ' LEU . 60.7 mtp180 -67.1 -32.25 73.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 56.6 mttt -58.2 -55.58 33.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 71' ' ' GLN . . . -74.0 -48.35 30.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.12 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 68' ' ' ALA . 53.2 tp -33.71 -36.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 68' ' ' ALA . 94.8 mt -85.65 -44.35 12.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.846 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 68' ' ' ALA . 0.1 OUTLIER -40.96 -31.36 0.17 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -85.42 -54.38 4.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.82 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.9 mt -42.79 -52.61 4.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -49.66 -43.17 46.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 53.2 mtp85 -55.43 -27.5 48.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.568 ' CE3' HG11 ' A' ' 39' ' ' VAL . 89.2 m95 -90.6 -69.09 0.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -79.21 -73.46 0.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.106 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 156.62 -106.69 0.3 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.464 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 115.47 4.11 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.62 2.213 . . . . 0.0 112.372 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -128.2 127.67 23.75 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.635 0.731 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -172.92 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.674 2.25 . . . . 0.0 112.384 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -131.47 -56.02 1.02 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.057 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 40.0 p -59.17 -23.38 62.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 4.2 m170 -72.59 -40.32 66.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.846 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.452 ' O ' ' NH2' ' A' ' 66' ' ' ARG . 56.4 tp -57.64 128.49 37.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.962 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 46.7 mtt85 -145.55 128.14 16.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.458 ' HB2' ' CE1' ' A' ' 105' ' ' TYR . 18.0 t-80 -70.14 122.07 18.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 30.5 mt -121.96 94.25 4.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.946 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.444 ' O ' ' NE2' ' A' ' 87' ' ' HIS . . . 69.27 -172.8 37.27 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.516 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -144.58 171.1 14.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.865 0.364 . . . . 0.0 110.901 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.493 HG12 ' CG ' ' A' ' 141' ' ' LYS . 52.2 t -143.34 109.24 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.138 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 44.5 t -120.79 108.93 23.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 63.3 t60 -101.17 115.13 29.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.1 p -87.3 109.82 19.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.52 ' CD2' HD21 ' A' ' 100' ' ' LEU . 80.2 m-85 -82.1 175.41 10.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 18.8 m -44.53 -75.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -113.59 24.82 11.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.479 HG22 ' CD2' ' A' ' 100' ' ' LEU . 18.2 mt -139.58 150.61 22.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.161 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -124.93 117.9 25.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.917 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.52 HD21 ' CD2' ' A' ' 95' ' ' PHE . 3.8 mm? -108.8 140.49 42.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 27.7 m -130.08 107.43 9.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.089 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -106.45 133.96 50.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -100.58 118.19 36.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.457 ' CG2' HG22 ' A' ' 91' ' ' VAL . 58.0 t -75.24 121.79 27.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.124 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.458 ' CE1' ' HB2' ' A' ' 87' ' ' HIS . 19.2 m-85 -132.17 106.75 8.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -79.53 146.76 29.04 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.483 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.415 HD13 ' C ' ' A' ' 107' ' ' LEU . 2.2 tm? -166.05 115.67 0.98 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.789 0.328 . . . . 0.0 110.889 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -136.92 155.39 49.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 84.9 mt -92.42 101.58 14.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 179.937 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.232 0.196 0 CA-C-O 120.818 0.258 . . . . 0.0 112.342 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.402 HG13 ' N ' ' A' ' 116' ' ' THR . 5.5 p -98.56 -42.63 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.081 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.402 ' N ' HG13 ' A' ' 115' ' ' VAL . 29.4 p 39.36 41.43 0.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.106 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 9.7 t -165.47 155.22 12.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.45 ' CG2' ' HD2' ' A' ' 119' ' ' PRO . 13.5 p -175.71 135.99 0.49 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.577 0.703 . . . . 0.0 111.169 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.45 ' HD2' ' CG2' ' A' ' 118' ' ' VAL . 53.6 Cg_endo -69.68 170.06 17.35 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.702 2.268 . . . . 0.0 112.395 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 1.92 4.0 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.719 2.28 . . . . 0.0 112.33 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -114.06 14.97 21.23 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.449 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -142.95 147.26 34.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.742 0.306 . . . . 0.0 111.074 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.471 ' NE ' HD21 ' A' ' 125' ' ' LEU . 15.0 ptt180 -136.57 149.28 48.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 36.5 m95 -109.51 113.12 25.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.471 HD21 ' NE ' ' A' ' 123' ' ' ARG . 1.5 pp -130.95 169.98 15.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.991 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 26.1 p -80.3 159.66 25.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.135 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.437 ' OE1' ' NE2' ' A' ' 147' ' ' GLN . 18.5 mt-30 -54.5 -37.6 65.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -68.02 -50.41 55.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -53.59 -36.62 62.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.701 ' CE2' ' CZ ' ' A' ' 53' ' ' PHE . 6.6 t80 -62.28 -53.9 48.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -40.06 -48.13 2.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.838 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 72.9 p -74.31 -37.49 63.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.12 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -47.65 145.6 2.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.136 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.442 ' CB ' HD11 ' A' ' 50' ' ' LEU . . . -65.75 100.62 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.004 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.429 HG22 ' C ' ' A' ' 134' ' ' ALA . 1.7 t -136.41 152.15 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.168 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 22.7 t -64.77 161.28 18.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.804 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 52.2 m -53.65 -55.92 21.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.111 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 142' ' ' VAL . . . -50.68 -63.75 1.03 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' MET . . . . . 0.414 ' HB2' ' CG1' ' A' ' 135' ' ' VAL . 29.5 mmm -46.54 -36.51 6.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -71.82 -44.1 64.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.493 ' CG ' HG12 ' A' ' 91' ' ' VAL . 3.3 ptmm? -81.02 -9.56 59.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.471 HG13 ' CG2' ' A' ' 23' ' ' THR . 5.1 t -77.56 -23.84 14.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.505 ' O ' ' N ' ' A' ' 146' ' ' TYR . 66.3 t80 -76.36 -66.28 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 143' ' ' PHE . 5.6 ptm180 -38.27 -28.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.472 ' N ' ' O ' ' A' ' 143' ' ' PHE . 99.4 t -76.68 -42.38 34.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . 0.505 ' N ' ' O ' ' A' ' 143' ' ' PHE . 1.6 t80 -58.98 -54.86 42.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . 0.437 ' NE2' ' OE1' ' A' ' 127' ' ' GLN . 33.2 mm-40 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -58.98 102.29 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.859 0.362 . . . . 0.0 110.881 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.4 t -82.43 158.71 23.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.794 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.27 168.07 42.62 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.448 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.0 m -108.89 152.24 25.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.885 0.374 . . . . 0.0 110.843 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.2 m -114.59 129.31 56.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.79 70.69 1.04 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.434 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.77 1.51 4.38 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.686 2.257 . . . . 0.0 112.385 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -55.81 -49.74 72.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 11' ' ' ALA . 23.5 pttt -54.34 179.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 10' ' ' LYS . . . -35.58 125.35 0.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.0 m -55.74 107.04 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -130.47 -51.47 1.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.816 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 50.7 mmtt -103.81 150.92 38.69 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.599 0.714 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 161.04 47.45 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.653 2.236 . . . . 0.0 112.33 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.474 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.7 Cg_endo -69.81 -19.15 36.26 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.682 2.255 . . . . 0.0 112.381 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.474 ' C ' ' O ' ' A' ' 16' ' ' PRO . 61.8 mtt180 -32.15 -53.98 0.3 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.831 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -97.14 100.24 11.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -139.82 113.47 8.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.4 m -121.73 140.4 52.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.801 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.1 m -150.45 153.12 35.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.893 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.504 ' CB ' ' CD ' ' A' ' 65' ' ' GLN . . . -118.03 105.06 11.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.9 t -97.56 148.61 23.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 52.8 t -129.06 153.81 47.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.407 HG11 ' CE2' ' A' ' 146' ' ' TYR . 48.6 t -109.39 115.4 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.116 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 30.1 tp -98.85 127.64 44.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -134.55 148.77 50.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.499 ' HG2' ' CZ3' ' A' ' 124' ' ' TRP . 7.9 pt20 -142.86 148.04 44.21 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.662 0.744 . . . . 0.0 110.854 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 139.43 40.1 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.792 2.328 . . . . 0.0 112.319 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -144.72 175.77 24.21 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.451 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -43.83 -59.67 2.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.821 0.343 . . . . 0.0 111.138 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 24.8 mt -56.58 -49.23 75.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.72 -64.97 0.14 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -170.04 125.02 0.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.806 0.336 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.08 146.97 44.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.3 pt -98.82 174.37 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.9 tp -107.59 148.45 29.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.47 HD12 ' N ' ' A' ' 53' ' ' PHE . 10.5 tp -143.16 120.84 11.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.518 HG13 ' CD2' ' A' ' 76' ' ' TRP . 10.6 m -108.45 152.23 10.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -114.95 143.98 44.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -87.57 143.28 33.73 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.639 0.733 . . . . 0.0 110.834 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -19.24 36.29 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.352 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.404 ' C ' ' HB3' ' A' ' 48' ' ' ALA . 11.7 m120 -43.57 153.52 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.86 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.422 ' N ' ' HB3' ' A' ' 48' ' ' ALA . 9.1 p -133.51 134.34 43.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.838 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 115.93 -145.38 18.68 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.522 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 48' ' ' ALA . 15.3 mt -55.31 134.78 50.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.924 0.392 . . . . 0.0 110.887 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 18.5 mt 39.26 28.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.939 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 46' ' ' LEU . . . -114.44 146.92 40.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.37 44.42 59.09 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.496 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -116.98 164.85 14.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.793 0.33 . . . . 0.0 110.946 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 87.6 m95 -96.63 134.28 40.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.402 ' CB ' ' HG3' ' A' ' 139' ' ' MET . 4.5 pt-20 -170.45 154.6 4.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.932 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.557 ' CZ ' ' CE1' ' A' ' 130' ' ' PHE . 7.7 m-85 -55.32 150.95 20.51 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.641 0.734 . . . . 0.0 110.841 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 144.12 52.87 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.717 2.278 . . . . 0.0 112.288 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.1 p -145.49 169.03 19.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.4 ' CG2' HE22 ' A' ' 65' ' ' GLN . 4.8 m -135.94 170.13 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.4 t -54.82 158.41 2.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 85.3 t90 -79.26 140.13 37.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -122.14 138.57 29.09 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.672 0.748 . . . . 0.0 110.849 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 -34.02 15.74 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.667 2.245 . . . . 0.0 112.339 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.8 t -89.57 132.87 34.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.89 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -57.9 -16.63 12.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.958 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -92.54 -49.48 6.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.5 mp -53.9 -37.15 63.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.504 ' CD ' ' CB ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -62.82 -57.17 11.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 -58.74 -45.32 89.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -51.32 -67.03 0.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.88 -38.22 84.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.071 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 24.5 tp -48.94 -41.09 32.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 71' ' ' GLN . 78.3 mt -74.22 -47.91 32.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 70' ' ' LEU . 10.3 mt-30 -36.49 -53.92 0.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -57.93 -55.8 30.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 18.7 mt -45.95 -48.95 16.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -53.5 -41.92 66.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.974 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -50.72 -33.75 24.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.518 ' CD2' HG13 ' A' ' 39' ' ' VAL . 72.0 m95 -87.24 -71.57 0.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.943 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.98 -70.99 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.045 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 145.5 -99.43 0.21 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.48 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 108.76 2.14 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.722 2.281 . . . . 0.0 112.374 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -121.52 134.55 24.59 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.576 0.703 . . . . 0.0 110.96 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -179.82 3.17 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.715 2.276 . . . . 0.0 112.316 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -125.94 -54.09 1.52 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.003 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 56.1 m -64.58 -31.23 72.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.182 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -64.48 -20.97 66.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 33.4 tp -73.59 133.24 43.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 -152.71 133.93 14.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.433 ' HB2' ' CE1' ' A' ' 105' ' ' TYR . 6.3 t-80 -73.9 125.7 28.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.9 mt -123.59 94.13 4.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 62.21 -169.09 14.48 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.547 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -147.71 170.36 17.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.912 0.387 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.422 HG22 ' CG2' ' A' ' 104' ' ' VAL . 32.0 t -139.34 108.7 3.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.174 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 42.9 t -118.86 108.79 24.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.073 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 43.5 t60 -99.17 129.57 45.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.36 112.7 24.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.185 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -84.72 -175.07 5.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.4 m -50.98 -64.49 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.85 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.517 ' CG ' ' O ' ' A' ' 97' ' ' HIS . 0.4 OUTLIER -128.17 31.35 5.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.808 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.526 ' CG2' ' N ' ' A' ' 99' ' ' LYS . 18.7 mt -138.99 159.39 29.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.153 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.526 ' N ' ' CG2' ' A' ' 98' ' ' ILE . 2.2 tmtt? -135.12 118.37 16.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -110.03 143.21 40.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 21.8 m -127.92 100.69 6.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.133 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -100.86 131.97 46.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.905 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -98.9 112.62 24.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.932 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.422 ' CG2' HG22 ' A' ' 91' ' ' VAL . 47.9 t -70.66 127.63 32.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.188 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.433 ' CE1' ' HB2' ' A' ' 87' ' ' HIS . 14.8 m-85 -134.35 135.83 42.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -112.23 137.07 14.0 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.452 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.422 ' C ' ' CD1' ' A' ' 107' ' ' LEU . 1.8 tm? -152.0 114.25 4.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.875 0.369 . . . . 0.0 110.942 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -133.5 151.93 51.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.035 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 43.7 mt -93.54 103.41 15.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.958 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -50.46 -58.13 6.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.83 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -155.95 24.23 0.55 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.479 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -76.85 -179.92 5.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.928 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 77.8 p -72.82 142.93 83.86 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.622 0.725 . . . . 0.0 111.125 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -173.79 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.67 2.246 . . . . 0.0 112.333 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.3 p -109.26 -36.82 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.9 p 40.5 31.91 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.095 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 95.8 m -155.43 143.16 19.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.115 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.474 ' CG2' ' HD2' ' A' ' 119' ' ' PRO . 6.1 p -171.88 136.2 0.92 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.655 0.74 . . . . 0.0 111.118 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 118' ' ' VAL . 53.7 Cg_endo -69.81 169.89 17.92 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.722 2.282 . . . . 0.0 112.354 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 1.24 4.58 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.67 2.247 . . . . 0.0 112.35 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -107.77 1.07 34.03 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.499 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -133.53 138.79 46.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.78 0.324 . . . . 0.0 111.093 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.416 ' HB2' ' NH1' ' A' ' 123' ' ' ARG . 0.5 OUTLIER -126.56 141.12 51.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.826 -179.917 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' TRP . . . . . 0.499 ' CZ3' ' HG2' ' A' ' 28' ' ' GLN . 46.1 m95 -99.05 106.27 18.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.5 pp -117.35 169.9 9.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 5.8 p -87.44 -179.44 6.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -66.49 -43.69 84.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -73.5 -22.77 60.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -77.38 -34.24 54.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.557 ' CE1' ' CZ ' ' A' ' 53' ' ' PHE . 13.2 t80 -61.29 -55.21 34.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -44.05 -61.49 1.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.851 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 71.4 p -56.5 -19.07 13.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.106 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -72.67 142.53 48.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.144 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.89 99.04 0.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.046 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 1.1 t -126.81 140.92 47.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.184 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 137' ' ' THR . 3.5 p -68.3 140.1 55.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 136' ' ' SER . 44.1 m -34.9 -60.38 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.091 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 137' ' ' THR . . . -36.02 -58.65 0.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' MET . . . . . 0.402 ' HG3' ' CB ' ' A' ' 52' ' ' GLU . 44.1 mmm -61.25 -52.87 62.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -49.02 -23.07 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -84.14 -33.79 24.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.834 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 90.5 t -64.72 -34.12 67.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.145 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.52 ' CE2' ' CD ' ' A' ' 147' ' ' GLN . 85.8 t80 -62.86 -65.65 0.66 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.835 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -44.4 -33.07 1.54 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 41.0 t -74.04 -43.34 51.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . 0.407 ' CE2' HG11 ' A' ' 25' ' ' VAL . 3.9 t80 -65.12 -31.34 72.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . 0.52 ' CD ' ' CE2' ' A' ' 143' ' ' PHE . 60.4 mt-30 -61.71 -32.45 72.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -39.18 -83.01 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.547 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -79.5 78.26 6.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 110.932 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 13.1 t -164.41 115.32 1.25 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -154.43 150.65 22.29 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.409 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -28.62 25.11 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.671 2.248 . . . . 0.0 112.329 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 33.9 t -39.94 153.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 68.5 p -46.06 171.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.829 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.519 179.948 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.545 -0.222 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.6 m -152.95 167.84 27.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.861 0.362 . . . . 0.0 110.904 -179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.7 p -49.0 115.93 1.47 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.63 -161.48 35.6 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.449 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -78.11 136.09 37.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.943 0.401 . . . . 0.0 110.787 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.5 t -65.93 139.61 58.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.886 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.51 153.32 5.9 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.476 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -47.58 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.695 2.263 . . . . 0.0 112.366 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -84.9 -57.29 3.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -44.01 -45.62 7.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.974 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -87.2 -175.53 5.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.096 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 72.0 m -45.47 168.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -71.64 78.92 0.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.0 mmtm -98.51 147.89 33.77 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.604 0.716 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 143.38 50.88 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.67 2.247 . . . . 0.0 112.351 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.7 Cg_endo -69.76 -44.25 2.19 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.731 2.288 . . . . 0.0 112.315 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 16' ' ' PRO . 23.7 mtp180 -34.75 -69.6 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.835 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -79.57 100.22 7.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -145.57 113.36 6.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.435 ' OG ' ' CB ' ' A' ' 58' ' ' TRP . 41.5 p -115.39 151.46 34.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.549 ' OG ' ' CE1' ' A' ' 102' ' ' TYR . 15.8 p -156.81 155.76 32.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.815 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -125.18 106.27 9.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.9 t -103.56 147.05 27.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.9 t -131.6 155.76 46.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 84.3 t -103.46 123.5 57.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.046 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.6 tp -108.91 109.22 20.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.956 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -119.16 145.16 46.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.463 ' HG2' ' CD1' ' A' ' 109' ' ' LEU . 79.6 mt-30 -138.11 141.41 32.08 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.611 0.719 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 120.41 7.21 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.635 2.223 . . . . 0.0 112.349 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -123.65 165.3 16.47 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.472 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.58 -56.57 2.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.852 0.358 . . . . 0.0 111.075 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.6 mt -57.69 -36.04 71.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 159.75 -71.73 0.23 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.543 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -172.99 139.36 0.83 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.848 0.356 . . . . 0.0 111.088 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -136.34 154.41 50.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.6 pt -104.52 172.48 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 tp -107.36 137.16 45.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.408 HD12 ' C ' ' A' ' 52' ' ' GLU . 12.0 tp -128.65 121.71 29.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.427 HG11 ' CD2' ' A' ' 76' ' ' TRP . 20.4 m -104.63 137.05 35.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -95.15 149.03 21.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.889 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -69.17 155.1 94.22 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.531 0.681 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 169.68 18.36 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.646 2.231 . . . . 0.0 112.358 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -38.08 -55.13 1.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.4 t -98.64 165.95 11.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.845 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 46' ' ' LEU . . . 114.1 132.6 5.47 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 45' ' ' GLY . 14.6 mt -35.17 132.29 0.38 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.813 0.339 . . . . 0.0 110.976 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 48.4 mt 57.93 50.85 9.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.21 153.66 42.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.45 20.13 76.74 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.496 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.461 ' N ' HD22 ' A' ' 50' ' ' LEU . 4.4 mm? -110.79 146.65 36.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.722 0.296 . . . . 0.0 110.995 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.519 ' CZ3' ' HG2' ' A' ' 123' ' ' ARG . 90.7 m95 -91.43 140.97 29.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.893 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.408 ' C ' HD12 ' A' ' 38' ' ' LEU . 15.2 pt-20 -172.01 176.43 3.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.858 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.403 ' CD1' ' CD1' ' A' ' 38' ' ' LEU . 21.5 m-85 -78.73 152.21 77.48 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.572 0.701 . . . . 0.0 110.883 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 142.98 49.5 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 122.653 2.235 . . . . 0.0 112.295 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.7 p -142.85 150.5 39.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.821 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.5 m -117.94 -176.93 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.21 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.9 p -71.53 133.12 45.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.435 ' CB ' ' OG ' ' A' ' 20' ' ' SER . 83.8 t90 -52.25 155.47 1.99 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -141.24 133.61 14.06 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.598 0.713 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -10.6 28.95 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.664 2.243 . . . . 0.0 112.328 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.6 t -119.42 128.13 53.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.814 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -51.11 -33.77 27.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -73.19 -53.38 11.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.937 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -50.59 -32.48 18.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -71.03 -60.05 2.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.952 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 36.5 mtm180 -59.59 -19.36 48.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -75.52 -60.84 2.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.835 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.63 -27.57 63.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.07 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.0 tp -50.13 -56.46 10.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 73.8 mt -60.95 -46.75 89.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.958 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -38.97 -44.28 1.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -73.26 -50.26 23.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.853 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 47.8 mt -49.18 -51.43 32.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -48.66 -38.22 20.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.947 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -57.29 -32.74 66.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.825 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.427 ' CD2' HG11 ' A' ' 39' ' ' VAL . 70.2 m95 -87.29 -69.4 0.69 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.921 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -79.67 -71.18 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.113 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 147.84 -98.51 0.19 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.47 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 106.86 1.73 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.754 2.303 . . . . 0.0 112.285 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -123.27 120.27 27.27 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.59 0.709 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 167.5 24.23 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.729 2.286 . . . . 0.0 112.281 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -101.35 -70.06 0.76 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 79.5 p -43.91 -49.94 8.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -43.72 -41.67 4.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 22.9 tp -59.22 131.21 50.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 32.2 mtm180 -147.66 147.78 30.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -87.37 115.97 25.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.5 mt -117.31 95.73 5.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 61.33 -171.99 7.8 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.486 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -145.43 171.0 15.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.957 0.408 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.41 HG23 ' CG2' ' A' ' 104' ' ' VAL . 47.9 t -141.24 105.25 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 97.8 t -120.14 109.33 25.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 57.8 t60 -98.89 121.86 41.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 30.7 m -90.59 111.17 22.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -85.11 -177.25 6.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 53.1 m -49.09 -72.52 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.825 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.484 ' CD2' HG13 ' A' ' 98' ' ' ILE . 18.5 p-80 -117.63 17.89 14.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.816 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.484 HG13 ' CD2' ' A' ' 97' ' ' HIS . 24.6 mt -129.48 152.92 37.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -133.14 118.16 18.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -105.88 144.93 31.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.871 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 85.7 m -131.16 104.34 7.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.549 ' CE1' ' OG ' ' A' ' 21' ' ' SER . 65.9 m-85 -106.61 130.24 54.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.957 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -94.01 111.07 22.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.41 ' CG2' HG23 ' A' ' 91' ' ' VAL . 90.2 t -70.37 123.04 23.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.055 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -130.53 138.42 50.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.933 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -109.48 132.75 11.23 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.469 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.405 ' C ' ' CD1' ' A' ' 107' ' ' LEU . 2.4 tm? -145.61 106.37 4.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.802 0.334 . . . . 0.0 110.947 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -130.34 144.2 51.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.094 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.463 ' CD1' ' HG2' ' A' ' 28' ' ' GLN . 60.9 mt -85.4 105.25 15.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.933 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -54.42 -66.97 0.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -145.73 71.89 0.34 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -132.84 -175.8 3.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.808 0.337 . . . . 0.0 110.986 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 44.8 p -82.13 143.2 48.67 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.632 0.73 . . . . 0.0 111.101 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 -179.36 2.84 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.686 2.257 . . . . 0.0 112.302 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 6.8 p -97.59 -33.5 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.7 p 38.94 37.12 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.157 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 18.9 m -165.76 154.8 11.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.472 ' CG2' ' HD2' ' A' ' 119' ' ' PRO . 9.2 p -167.46 137.38 2.28 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.674 0.749 . . . . 0.0 111.109 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 118' ' ' VAL . 54.2 Cg_endo -69.81 166.4 27.77 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.704 2.269 . . . . 0.0 112.362 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.65 100.3 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.73 2.286 . . . . 0.0 112.371 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 142.27 -13.69 2.54 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.47 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -114.41 155.4 26.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.815 0.341 . . . . 0.0 111.106 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.519 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 1.8 ptp180 -139.4 141.85 37.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.858 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 24.0 m95 -101.85 110.01 21.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 pp -124.81 169.71 11.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 11.1 p -84.32 177.01 8.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -66.19 -30.66 71.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -79.19 -48.41 14.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -56.55 -20.77 22.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.809 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.521 ' CE1' HG23 ' A' ' 135' ' ' VAL . 27.5 t80 -72.05 -63.49 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . 0.41 ' C ' ' O ' ' A' ' 130' ' ' PHE . 3.6 m-70 -36.85 -46.82 0.65 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 81.3 p -67.38 -47.81 69.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.126 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -45.04 155.11 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.096 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -72.68 102.92 3.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.152 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.521 HG23 ' CE1' ' A' ' 130' ' ' PHE . 1.1 t -131.02 148.07 33.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.196 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 40.3 t -76.66 152.34 35.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.0 0.429 . . . . 0.0 110.797 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 138' ' ' ALA . 25.4 m -42.25 -67.77 0.24 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.167 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 137' ' ' THR . . . -37.57 -58.83 0.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 47.8 mmm -54.09 -56.26 19.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 17.0 mtpt -48.56 -30.62 5.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.968 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 17.9 mtpt -77.2 -28.59 53.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 18.7 t -64.89 -15.91 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.464 ' CE2' ' NE2' ' A' ' 147' ' ' GLN . 75.7 t80 -83.94 -53.68 5.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.404 ' NH1' ' HB2' ' A' ' 144' ' ' ARG . 0.4 OUTLIER -60.35 -19.58 56.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.904 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 69.9 t -86.05 -27.15 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -76.3 -36.28 58.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . 0.464 ' NE2' ' CE2' ' A' ' 143' ' ' PHE . 40.0 mt-30 -58.89 -31.95 69.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.94 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -40.55 -36.6 1.05 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.509 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -144.41 110.04 5.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.8 0.333 . . . . 0.0 110.933 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 2.8 t -81.05 -62.5 1.65 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.799 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 172.39 -92.01 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.535 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -29.71 23.3 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.68 2.253 . . . . 0.0 112.374 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 6.1 m -142.22 149.26 39.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 9.4 t -111.0 -61.82 1.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.554 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.401 0 N-CA-C 112.55 -0.22 . . . . 0.0 112.55 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.6 m -50.72 96.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.921 0.391 . . . . 0.0 110.869 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.8 p -101.73 145.76 28.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.826 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.91 137.48 10.49 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.521 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -128.22 -50.95 1.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.877 0.37 . . . . 0.0 110.821 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.9 p 41.88 38.27 0.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.803 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.8 -156.48 31.42 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.451 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 157.96 58.52 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.672 2.248 . . . . 0.0 112.326 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.8 ptt180 -165.82 -176.05 3.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.0 mmtp -41.89 -67.13 0.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.4 175.27 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.085 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.4 m -100.93 49.22 0.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -72.15 -67.47 0.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.848 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.4 152.13 37.74 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.526 0.679 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 146.73 61.29 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.764 2.309 . . . . 0.0 112.34 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.7 Cg_endo -69.78 -26.58 27.36 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.645 2.23 . . . . 0.0 112.389 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 16' ' ' PRO . 36.1 mtp180 -35.34 -50.5 0.56 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.842 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -96.92 100.15 11.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -140.45 113.55 8.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.8 m -123.87 139.34 54.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.2 m -154.38 152.99 30.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.817 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.587 ' CB ' ' NE2' ' A' ' 65' ' ' GLN . . . -116.67 111.86 20.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.083 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.0 t -104.03 149.44 25.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.472 ' SG ' ' N ' ' A' ' 25' ' ' VAL . 1.5 t -128.78 159.3 36.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.85 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.472 ' N ' ' SG ' ' A' ' 24' ' ' CYS . 62.3 t -110.28 101.33 12.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.152 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.2 tp -87.27 120.0 28.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.488 ' OE1' ' NE2' ' A' ' 127' ' ' GLN . 29.0 tt0 -128.59 137.93 51.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.414 ' NE2' ' CG1' ' A' ' 115' ' ' VAL . 3.7 pt20 -120.26 143.82 36.62 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.627 0.727 . . . . 0.0 110.944 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 118.42 5.67 Favored 'Trans proline' 0 N--CA 1.466 -0.11 0 C-N-CA 122.75 2.3 . . . . 0.0 112.332 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -116.83 175.71 15.86 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.529 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.87 -62.5 1.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.822 0.344 . . . . 0.0 111.114 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.2 mt -51.99 -44.07 63.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.45 -75.55 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.444 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -170.91 148.01 2.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.668 0.27 . . . . 0.0 111.179 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -135.95 150.44 49.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.8 pt -104.3 177.12 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.8 tp -109.28 145.84 35.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.413 ' CD1' ' CD1' ' A' ' 53' ' ' PHE . 10.2 tp -143.0 126.69 16.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 29.2 m -110.8 139.72 33.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.53 ' HB3' ' CE3' ' A' ' 51' ' ' TRP . 8.1 pt20 -92.1 161.74 14.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.963 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.1 mtt180 -102.4 155.86 35.98 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.6 0.714 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 132.28 22.99 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.715 2.276 . . . . 0.0 112.329 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -39.26 108.39 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.937 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.2 t -157.39 171.19 20.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -82.95 -165.56 37.75 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.0 mt 62.41 31.29 17.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.858 0.361 . . . . 0.0 110.908 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 14.2 tp 72.29 54.73 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -105.16 178.59 4.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.123 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.38 20.88 71.12 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.497 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.469 ' N ' HD23 ' A' ' 50' ' ' LEU . 1.5 mm? -107.0 156.35 18.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.834 0.35 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.53 ' CE3' ' HB3' ' A' ' 40' ' ' GLN . 90.2 m95 -90.29 134.26 34.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.826 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -160.62 169.59 22.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.413 ' CD1' ' CD1' ' A' ' 38' ' ' LEU . 18.2 m-85 -69.42 146.62 96.53 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.63 0.729 . . . . 0.0 110.917 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 142.3 47.35 Favored 'Trans proline' 0 C--N 1.34 0.115 0 C-N-CA 122.66 2.24 . . . . 0.0 112.299 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 45.8 p -146.64 165.7 28.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.3 m -128.43 171.99 15.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.9 t -53.72 158.75 1.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.115 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 79.3 t90 -78.08 146.08 35.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.492 ' OE1' ' NE2' ' A' ' 65' ' ' GLN . 38.7 mp0 -122.38 136.08 26.16 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.669 0.747 . . . . 0.0 110.915 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -21.21 33.58 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.667 2.244 . . . . 0.0 112.298 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 t -99.68 165.83 11.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.827 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -88.03 -20.34 25.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.955 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.6 tp60 -91.47 -42.72 10.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.3 mp -61.44 -34.96 76.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.587 ' NE2' ' CB ' ' A' ' 22' ' ' ALA . 26.2 tp60 -55.81 -48.87 74.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.456 ' HB3' ' CD2' ' A' ' 85' ' ' LEU . 19.0 mtp180 -74.3 -43.7 55.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.6 mttm -52.37 -43.29 64.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -81.82 -40.19 22.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.188 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 21.8 tp -51.15 -42.32 60.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 72' ' ' GLU . 84.0 mt -71.94 -50.61 27.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.448 ' HG3' ' N ' ' A' ' 72' ' ' GLU . 1.5 pp0? -35.5 -31.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.964 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 70' ' ' LEU . 6.5 tp10 -82.96 -54.79 4.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.8 mt -42.89 -50.88 5.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -51.81 -46.55 64.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 25.8 mtm180 -47.66 -30.16 3.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 72.2 m95 -90.24 -74.68 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.66 -72.78 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 152.94 -103.29 0.24 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.593 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 116.67 4.67 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.704 2.269 . . . . 0.0 112.295 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -129.69 133.73 25.39 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.633 0.73 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -174.14 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.656 2.237 . . . . 0.0 112.344 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -130.07 -52.81 1.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.097 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 27.9 m -61.77 -37.45 84.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.178 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -55.63 -49.08 73.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.456 ' CD2' ' HB3' ' A' ' 66' ' ' ARG . 6.0 tp -49.2 122.44 6.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -134.2 154.95 50.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.789 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 -90.68 121.7 32.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 35.9 mt -122.29 90.96 3.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 59.41 -167.26 8.09 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.504 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -148.69 168.71 22.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.859 0.361 . . . . 0.0 110.899 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.468 HG23 ' CG2' ' A' ' 104' ' ' VAL . 40.8 t -137.64 106.53 4.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.073 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.411 ' CG1' ' HE3' ' A' ' 99' ' ' LYS . 25.6 t -115.98 110.42 31.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.099 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 27.4 t60 -98.11 106.87 19.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.817 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 31.1 m -82.72 114.96 21.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.478 ' N ' ' O ' ' A' ' 98' ' ' ILE . 35.7 m-85 -86.81 167.73 14.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.79 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 24.0 t -40.22 -66.35 0.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.84 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -115.28 3.24 14.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.888 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.529 ' CG2' ' N ' ' A' ' 99' ' ' LYS . 22.8 mt -121.2 160.58 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.529 ' N ' ' CG2' ' A' ' 98' ' ' ILE . 0.0 OUTLIER -139.59 128.47 23.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.868 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.421 HD22 ' C ' ' A' ' 99' ' ' LYS . 3.2 mm? -113.63 144.65 42.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 29.5 m -128.54 106.58 9.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.097 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -110.05 130.08 55.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -95.46 111.48 23.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.468 ' CG2' HG23 ' A' ' 91' ' ' VAL . 60.9 t -70.28 125.46 28.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -139.46 135.9 34.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -112.13 136.51 13.57 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.527 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.48 ' C ' ' CD1' ' A' ' 107' ' ' LEU . 1.6 tm? -147.79 113.88 5.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.812 0.339 . . . . 0.0 110.993 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -130.68 144.26 51.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.06 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 43.8 mt -84.91 109.74 18.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -76.2 -57.01 4.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -130.84 -10.45 2.56 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.517 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -50.83 174.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.932 0.396 . . . . 0.0 110.905 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 19.9 p -78.59 142.83 62.34 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 121.589 0.709 . . . . 0.0 111.119 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 175.02 8.69 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.676 2.251 . . . . 0.0 112.312 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.425 ' O ' ' C ' ' A' ' 116' ' ' THR . 2.8 p -106.68 -43.5 7.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.11 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 115' ' ' VAL . 14.9 p 35.49 34.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.196 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 115' ' ' VAL . 90.3 m -165.98 120.02 1.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.182 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.473 ' CG2' ' HD2' ' A' ' 119' ' ' PRO . 8.3 p -130.56 137.53 31.01 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.596 0.712 . . . . 0.0 111.172 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 118' ' ' VAL . 53.8 Cg_endo -69.87 164.38 34.85 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.651 2.234 . . . . 0.0 112.317 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 102.8 1.06 Allowed 'Trans proline' 0 C--O 1.23 0.125 0 C-N-CA 122.697 2.264 . . . . 0.0 112.354 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 142.26 -16.67 2.52 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.476 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -106.58 165.36 11.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.759 0.314 . . . . 0.0 111.105 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 6.5 ttt180 -140.37 141.04 35.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 35.0 m95 -114.2 105.94 13.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.989 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.3 pp -126.93 169.74 12.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 16.6 p -85.39 156.52 20.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.147 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.488 ' NE2' ' OE1' ' A' ' 27' ' ' GLU . 16.0 mp0 -44.2 -53.69 6.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.954 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -53.65 -46.88 70.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -56.01 -52.97 62.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.428 ' CE1' HG23 ' A' ' 135' ' ' VAL . 29.1 t80 -38.69 -57.6 1.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.898 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -40.38 -61.32 0.93 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 22.5 p -58.55 -26.87 64.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.098 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 130' ' ' PHE . . . -63.52 144.84 56.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.082 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.62 98.94 0.4 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.139 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.428 HG23 ' CE1' ' A' ' 130' ' ' PHE . 1.1 t -132.01 144.39 37.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 8.6 p -71.9 154.36 41.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 138' ' ' ALA . 26.6 m -45.33 -60.86 1.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.091 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 137' ' ' THR . . . -37.52 -58.28 0.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.119 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' MET . . . . . 0.401 ' HB2' ' CG1' ' A' ' 135' ' ' VAL . 36.4 mmm -60.76 -51.54 68.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 11.5 mtpt -55.34 -17.45 4.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.402 ' HD2' ' CG2' ' A' ' 137' ' ' THR . 44.6 mtpt -90.37 -26.31 19.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.935 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 96.4 t -69.97 -28.75 37.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.136 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -73.14 -55.01 7.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -55.1 -22.3 15.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.836 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 25.0 t -88.37 -25.32 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.054 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -79.4 -33.62 42.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -68.81 -58.0 4.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -95.44 93.52 1.6 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.479 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -91.89 121.74 33.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.761 0.315 . . . . 0.0 110.903 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 52.2 m -63.38 171.29 2.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 111.88 -95.95 0.83 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.84 173.36 11.16 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.612 2.208 . . . . 0.0 112.336 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 86.5 p -97.06 108.37 21.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.826 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 95.4 p -49.82 137.36 16.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.796 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.459 179.895 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -137.9 125.78 22.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.86 0.362 . . . . 0.0 110.792 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.3 p -98.82 88.04 3.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.831 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.21 73.36 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.448 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.6 t -82.23 85.11 6.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.891 0.377 . . . . 0.0 110.867 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.6 p -137.3 144.16 42.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.884 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.04 158.27 30.21 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.458 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 -48.81 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.644 2.229 . . . . 0.0 112.401 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.9 ptt-85 -162.93 172.32 15.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.843 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.5 tptm -64.2 89.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 12' ' ' SER . . . -163.24 160.35 23.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 11' ' ' ALA . 11.1 t -36.25 128.33 0.74 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.84 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 -38.98 103.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.937 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.9 mmtt -133.62 151.48 77.26 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.563 0.697 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 150.86 68.76 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.602 2.201 . . . . 0.0 112.361 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -40.91 4.78 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.647 2.232 . . . . 0.0 112.362 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.7 mtm180 -40.51 -51.66 2.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -91.36 100.24 13.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.956 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -148.66 113.57 5.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.4 m -120.51 144.51 48.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.7 m -157.12 151.63 25.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.812 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.47 ' HB2' ' NE2' ' A' ' 65' ' ' GLN . . . -115.37 114.46 25.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.132 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.6 t -107.32 145.45 32.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.094 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.444 ' SG ' ' N ' ' A' ' 25' ' ' VAL . 6.2 t -129.71 158.61 38.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.444 ' N ' ' SG ' ' A' ' 24' ' ' CYS . 68.9 t -108.43 117.27 53.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.137 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 29.5 tp -100.83 126.29 47.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.924 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -131.73 159.28 38.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.829 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.454 ' HG2' ' CZ3' ' A' ' 124' ' ' TRP . 6.2 pt20 -151.66 150.21 25.87 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.635 0.731 . . . . 0.0 110.912 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 125.77 12.53 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.71 2.273 . . . . 0.0 112.376 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -120.08 -177.66 16.12 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.82 -61.07 2.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.339 . . . . 0.0 111.082 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.8 mt -62.72 -40.68 97.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.41 -81.13 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -167.41 141.05 3.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.807 0.337 . . . . 0.0 111.052 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.26 163.39 24.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.4 pt -113.12 174.68 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.2 tp -105.73 150.32 25.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.405 HD13 ' C ' ' A' ' 52' ' ' GLU . 11.3 tp -141.75 133.87 27.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.975 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.3 m -115.62 139.16 43.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.503 ' HB2' ' CD2' ' A' ' 51' ' ' TRP . 7.4 tt0 -113.92 121.85 45.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.55 149.68 87.91 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.647 0.737 . . . . 0.0 110.832 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -48.39 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.695 2.263 . . . . 0.0 112.366 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -169.91 106.9 0.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.0 m -127.79 104.52 7.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.879 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 42.49 -155.64 0.12 Allowed Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.494 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.3 mt -44.62 -64.46 0.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.762 0.315 . . . . 0.0 110.878 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.0 mt -72.18 91.75 1.31 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -120.0 147.96 44.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.88 34.76 62.04 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.572 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -103.93 141.79 35.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.864 0.364 . . . . 0.0 110.931 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.542 ' CZ3' ' HD2' ' A' ' 123' ' ' ARG . 85.3 m95 -85.42 132.94 34.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.428 ' CB ' ' HG3' ' A' ' 139' ' ' MET . 3.0 pt-20 -163.14 161.52 25.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.673 ' CZ ' ' CE1' ' A' ' 130' ' ' PHE . 16.7 m-85 -61.93 144.19 93.94 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.669 0.747 . . . . 0.0 110.888 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 143.89 52.34 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.716 2.277 . . . . 0.0 112.342 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.6 p -145.19 164.21 32.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 15.0 m -124.97 -178.61 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.134 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.2 p -69.8 126.38 29.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.504 ' CH2' ' HA ' ' A' ' 60' ' ' PRO . 88.4 t90 -44.7 158.42 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.966 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -140.76 136.53 16.42 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.599 0.714 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.504 ' HA ' ' CH2' ' A' ' 58' ' ' TRP . 54.1 Cg_endo -69.67 -22.39 32.56 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.738 2.292 . . . . 0.0 112.334 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.2 t -101.54 146.71 27.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.793 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -69.04 -19.21 64.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -89.83 -51.66 5.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -48.2 -39.67 21.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.973 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.47 ' NE2' ' HB2' ' A' ' 22' ' ' ALA . 8.1 tp60 -57.11 -61.81 2.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 47.2 mtp180 -59.31 -39.03 81.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp -54.88 -70.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.48 -37.93 87.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.131 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.419 ' CB ' ' O ' ' A' ' 65' ' ' GLN . 19.9 tp -46.38 -43.45 16.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 81.9 mt -74.16 -44.88 51.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -40.8 -44.84 2.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -69.67 -53.27 19.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 27.0 mt -46.13 -47.33 17.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -53.96 -40.89 67.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.946 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 23.4 mtt-85 -53.12 -29.82 33.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 66.2 m95 -91.62 -72.45 0.59 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -75.27 -70.87 0.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.068 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 147.55 -98.77 0.19 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.488 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.65 109.46 2.3 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.686 2.258 . . . . 0.0 112.373 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -120.99 121.88 28.59 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.608 0.718 . . . . 0.0 110.934 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 170.44 16.56 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.738 2.292 . . . . 0.0 112.339 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -115.62 -40.66 3.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.126 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 73.1 p -71.49 -33.22 69.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.122 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 21.1 m170 -65.85 -29.95 70.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 18.4 tp -65.15 152.71 42.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -171.24 146.23 2.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.923 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.43 ' NE2' ' O ' ' A' ' 89' ' ' GLY . 15.7 t-80 -86.8 119.95 27.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 23.0 mt -118.31 90.21 3.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.927 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.43 ' O ' ' NE2' ' A' ' 87' ' ' HIS . . . 66.0 -164.57 39.62 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.482 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -152.34 170.81 19.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.899 0.38 . . . . 0.0 110.909 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.465 ' CG1' ' HE3' ' A' ' 141' ' ' LYS . 71.0 t -142.89 108.05 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.13 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 55.8 t -118.63 112.05 36.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.507 ' CD2' ' CE1' ' A' ' 95' ' ' PHE . 20.8 t60 -105.1 145.62 30.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 63.5 m -113.46 112.53 23.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.507 ' CE1' ' CD2' ' A' ' 93' ' ' HIS . 44.0 m-85 -99.89 -175.96 3.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.495 ' O ' ' CG ' ' A' ' 97' ' ' HIS . 4.2 m -46.49 107.22 0.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.495 ' CG ' ' O ' ' A' ' 96' ' ' SER . 24.0 p-80 45.1 31.73 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 61.3 mt -137.45 150.26 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.1 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 43.8 tttt -136.58 117.94 14.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.412 ' N ' HD23 ' A' ' 100' ' ' LEU . 3.4 mm? -104.14 154.62 19.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 17.7 m -133.05 101.24 5.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -107.98 120.19 41.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -89.14 120.08 30.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.438 ' CG2' HG21 ' A' ' 91' ' ' VAL . 73.1 t -75.86 125.82 35.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.09 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -132.94 140.42 47.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -111.62 142.99 17.24 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.5 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.536 ' C ' ' CD1' ' A' ' 107' ' ' LEU . 1.2 tm? -157.01 113.95 3.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.833 0.349 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -134.44 146.76 50.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 86.9 mt -87.66 108.56 19.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -45.87 -34.14 3.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 134.49 47.83 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.518 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 65.7 mm-40 -93.74 -56.16 2.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.864 0.364 . . . . 0.0 110.963 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 19.0 p -159.87 143.13 10.33 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.624 0.726 . . . . 0.0 111.095 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -174.78 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.642 2.228 . . . . 0.0 112.378 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.408 ' O ' ' C ' ' A' ' 116' ' ' THR . 6.6 p -113.47 -37.92 2.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.979 0.418 . . . . 0.0 111.129 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 115' ' ' VAL . 16.5 p 37.38 34.77 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.149 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 57.4 m -145.64 119.13 9.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.122 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.459 ' CG2' ' HB2' ' A' ' 122' ' ' ALA . 4.3 p -159.99 124.97 2.18 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.656 0.741 . . . . 0.0 111.095 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 169.69 18.38 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.675 2.25 . . . . 0.0 112.38 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 0.37 5.67 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.624 2.216 . . . . 0.0 112.414 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -105.05 2.65 40.88 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.464 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.459 ' HB2' ' CG2' ' A' ' 118' ' ' VAL . . . -132.49 159.95 37.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 0.0 111.089 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.542 ' HD2' ' CZ3' ' A' ' 51' ' ' TRP . 8.8 ptm180 -143.12 137.9 29.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' TRP . . . . . 0.454 ' CZ3' ' HG2' ' A' ' 28' ' ' GLN . 42.9 m95 -97.03 101.17 12.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.7 pp -116.67 167.29 11.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.91 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 6.8 p -83.61 175.2 9.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.093 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -61.99 -44.85 95.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -65.28 -42.15 93.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.02 -35.92 74.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.673 ' CE1' ' CZ ' ' A' ' 53' ' ' PHE . 34.0 t80 -60.63 -50.58 72.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.876 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -52.37 -51.11 60.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.796 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 64.5 p -68.23 -29.05 67.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.167 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -57.48 -178.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -100.01 94.27 6.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.074 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.511 HG21 ' CE1' ' A' ' 130' ' ' PHE . 1.0 OUTLIER -124.95 145.51 32.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.1 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 137' ' ' THR . 13.4 m -71.65 144.11 49.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.837 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 136' ' ' SER . 87.1 m -33.9 -65.08 0.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.044 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.419 ' HA ' ' CE ' ' A' ' 141' ' ' LYS . . . -42.04 -68.01 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.075 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' MET . . . . . 0.428 ' HG3' ' CB ' ' A' ' 52' ' ' GLU . 48.7 mmm -39.82 -55.21 2.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -50.25 -37.86 37.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.465 ' HE3' ' CG1' ' A' ' 91' ' ' VAL . 41.9 mtmt -65.62 -33.84 76.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.95 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.2 -22.86 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -80.09 -61.54 1.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.961 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -48.42 -35.66 13.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.947 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 38.4 t -71.23 -32.42 47.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.14 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -66.2 -45.74 79.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -42.69 -63.14 0.83 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.935 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -86.21 97.78 2.25 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.441 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -46.94 -45.26 20.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.748 0.309 . . . . 0.0 110.834 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 51.4 m -96.67 142.58 28.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.811 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . 0.413 ' N ' ' HD2' ' A' ' 152' ' ' PRO . . . -58.7 -62.33 6.37 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.507 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . 0.413 ' HD2' ' N ' ' A' ' 151' ' ' GLY . 53.4 Cg_endo -69.83 176.14 7.22 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.653 2.236 . . . . 0.0 112.336 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 11.2 t -135.36 123.73 23.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 8.9 t -60.19 -56.57 19.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.878 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.527 179.945 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.5 t 54.26 41.47 31.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.809 0.337 . . . . 0.0 110.8 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.9 p -99.83 42.1 1.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.61 41.46 2.01 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.45 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.0 m 55.89 44.72 25.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.89 0.376 . . . . 0.0 110.789 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.1 t -111.68 -41.16 4.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.64 -163.91 46.55 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.484 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 9' ' ' ARG . 53.5 Cg_endo -69.83 -0.11 6.5 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.61 2.206 . . . . 0.0 112.357 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 8' ' ' PRO . 49.3 mtt180 -34.83 -57.58 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -138.32 119.8 14.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.14 98.63 0.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.098 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.0 t -97.99 -38.12 9.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -112.66 -58.2 2.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.848 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.8 mmtm -118.77 145.08 36.9 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.593 0.711 . . . . 0.0 110.943 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 169.54 18.67 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.637 2.224 . . . . 0.0 112.402 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.3 Cg_endo -69.81 -25.08 28.75 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.665 2.243 . . . . 0.0 112.281 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 16' ' ' PRO . 36.5 mtp180 -35.06 -47.75 0.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -100.89 100.22 10.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.925 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -138.41 113.49 9.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.831 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.411 ' C ' ' HB2' ' A' ' 58' ' ' TRP . 25.2 m -117.13 139.44 50.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.849 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.2 m -154.8 152.08 29.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -119.74 112.2 18.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.096 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.8 t -104.2 146.52 28.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 53.2 t -123.0 160.29 26.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 67.0 t -114.97 103.48 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.146 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 41.4 tp -89.26 122.01 32.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.817 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -124.32 152.9 42.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -149.81 145.67 19.33 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.554 0.692 . . . . 0.0 110.903 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 131.34 21.01 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.67 2.247 . . . . 0.0 112.292 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -125.27 -168.86 12.82 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.522 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.48 -47.87 79.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.835 0.35 . . . . 0.0 111.119 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.4 mt -69.07 -42.89 75.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.32 -55.76 0.18 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.518 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -157.47 169.13 25.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.779 0.323 . . . . 0.0 111.061 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -162.3 129.63 3.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.937 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.4 pt -96.54 174.24 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.3 tp -108.66 145.62 34.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.42 ' CD2' ' HB3' ' A' ' 51' ' ' TRP . 8.8 tp -143.12 127.32 17.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.521 HG12 ' CE3' ' A' ' 76' ' ' TRP . 18.2 m -104.61 159.49 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.093 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -102.56 155.76 18.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.6 mtp85 -90.24 149.29 41.0 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.566 0.698 . . . . 0.0 110.871 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -172.76 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.658 2.239 . . . . 0.0 112.364 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -73.07 88.35 1.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.6 p -107.12 -179.07 3.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.956 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -104.19 -39.56 2.43 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.513 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 12.5 mt -71.19 -69.71 0.36 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.788 0.328 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.8 mp -124.18 90.88 3.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -103.74 139.85 38.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.038 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.87 30.59 55.68 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.489 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -105.65 145.43 31.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.847 0.356 . . . . 0.0 110.94 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.42 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 84.9 m95 -103.32 125.94 50.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.439 ' N ' ' CD ' ' A' ' 52' ' ' GLU . 1.1 pm0 -152.15 165.48 34.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.924 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.778 ' CZ ' ' CE1' ' A' ' 130' ' ' PHE . 12.8 m-85 -64.88 146.79 98.66 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.71 0.767 . . . . 0.0 110.843 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 143.22 50.14 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.692 2.262 . . . . 0.0 112.403 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.6 p -145.37 174.28 11.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.3 m -133.54 -176.32 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.4 p -70.94 125.41 26.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.185 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.428 ' CH2' ' HA ' ' A' ' 60' ' ' PRO . 79.8 t90 -44.09 158.71 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -138.86 134.43 17.04 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.644 0.735 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.428 ' HA ' ' CH2' ' A' ' 58' ' ' TRP . 53.7 Cg_endo -69.89 -20.53 34.08 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.742 2.295 . . . . 0.0 112.34 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.3 t -97.1 161.37 13.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -79.48 -28.54 41.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 27.8 tp60 -85.55 -60.65 1.97 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.3 mp -37.51 -41.84 0.48 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -54.94 -51.37 66.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.96 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 38.4 mtt180 -68.72 -46.26 69.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.7 mtmt -50.05 -62.66 1.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.46 -43.31 94.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.137 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.6 tp -42.83 -48.24 5.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.973 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 71' ' ' GLN . 86.7 mt -72.22 -46.87 54.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 70' ' ' LEU . 23.0 mt-30 -36.99 -35.97 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -81.97 -53.8 5.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 22.4 mt -41.97 -48.94 4.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -53.32 -39.23 63.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -55.53 -29.51 59.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.799 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.521 ' CE3' HG12 ' A' ' 39' ' ' VAL . 77.4 m95 -89.93 -70.34 0.67 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.459 ' HB3' ' CG2' ' A' ' 115' ' ' VAL . . . -79.12 -72.26 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.081 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 149.81 -100.48 0.21 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 108.37 2.08 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.712 2.275 . . . . 0.0 112.307 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -120.56 135.27 24.49 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.544 0.688 . . . . 0.0 110.959 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 -175.66 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.633 2.222 . . . . 0.0 112.347 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -128.22 -73.67 0.59 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.1 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -50.42 -38.06 41.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.166 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -51.22 -44.71 61.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.451 ' HG ' ' N ' ' A' ' 86' ' ' ARG . 16.8 tp -55.41 154.93 5.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.965 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.451 ' N ' ' HG ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -170.85 155.13 4.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.885 179.899 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -87.85 123.72 32.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.9 mt -128.36 93.07 3.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 65.77 -175.88 16.59 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.461 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.86 171.09 15.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.946 0.403 . . . . 0.0 110.846 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 38.3 t -140.72 109.06 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.464 ' CG1' ' HD3' ' A' ' 99' ' ' LYS . 53.5 t -120.23 114.25 43.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 39.0 t60 -102.76 145.35 29.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -110.76 105.0 13.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -79.75 -179.02 6.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 46.8 t -45.41 -63.72 0.89 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.53 ' CD2' HG13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -130.32 24.09 5.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.864 179.908 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.53 HG13 ' CD2' ' A' ' 97' ' ' HIS . 35.9 mt -136.37 143.75 34.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.464 ' HD3' ' CG1' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -120.59 108.28 13.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 179.854 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.475 ' N ' HD23 ' A' ' 100' ' ' LEU . 4.1 mm? -91.24 149.69 21.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.985 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 57.0 m -132.49 105.58 7.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.132 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -109.74 128.88 55.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.954 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 -95.49 119.66 34.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 57.4 t -74.01 127.42 35.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -136.99 127.32 26.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -106.58 137.17 13.75 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.378 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.509 ' C ' ' CD1' ' A' ' 107' ' ' LEU . 1.7 tm? -155.59 108.72 2.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.79 0.328 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -127.96 147.6 50.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.101 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 94.0 mt -88.59 108.41 19.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -46.62 -29.16 1.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 135.2 65.08 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.494 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -108.01 -72.91 0.7 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.85 0.357 . . . . 0.0 110.966 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.1 p -140.12 142.16 29.23 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.601 0.715 . . . . 0.0 111.13 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -177.76 2.05 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.651 2.234 . . . . 0.0 112.337 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.459 ' CG2' ' HB3' ' A' ' 77' ' ' ALA . 7.7 p -114.43 -40.95 3.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 115' ' ' VAL . 11.3 p 33.71 42.13 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.216 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 22.9 m -157.82 124.38 4.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.074 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.469 ' CG2' ' HD2' ' A' ' 119' ' ' PRO . 9.7 p -168.0 136.17 1.9 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.576 0.703 . . . . 0.0 111.161 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.469 ' HD2' ' CG2' ' A' ' 118' ' ' VAL . 54.1 Cg_endo -69.72 167.42 24.43 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.66 2.24 . . . . 0.0 112.383 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 -0.8 7.41 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.731 2.288 . . . . 0.0 112.386 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -101.4 4.28 54.54 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.498 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.419 ' HB3' ' CE3' ' A' ' 76' ' ' TRP . . . -134.52 165.96 24.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.803 0.335 . . . . 0.0 111.11 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -149.31 149.24 30.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 33.0 m95 -107.22 105.23 15.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.94 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.6 pp -120.92 169.82 10.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.943 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 6.0 p -88.07 173.2 9.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.144 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -58.9 -45.81 89.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.977 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -64.59 -33.36 75.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -73.34 -32.99 64.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.778 ' CE1' ' CZ ' ' A' ' 53' ' ' PHE . 9.3 t80 -61.8 -46.0 91.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -61.11 -40.89 95.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 80.4 p -72.29 -24.59 61.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.203 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -66.3 169.7 6.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.018 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -87.91 97.56 11.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.414 ' CG1' ' HB2' ' A' ' 139' ' ' MET . 1.0 OUTLIER -127.61 144.96 35.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.103 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 137' ' ' THR . 77.4 p -78.43 143.74 36.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.802 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.43 ' C ' ' O ' ' A' ' 136' ' ' SER . 4.0 m -34.99 -62.19 0.38 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.143 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 137' ' ' THR . . . -35.32 -57.89 0.58 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.129 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' MET . . . . . 0.414 ' HB2' ' CG1' ' A' ' 135' ' ' VAL . 22.9 mmm -65.09 -47.43 77.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -54.89 -18.86 5.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -89.37 -23.02 22.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 63.7 t -76.93 -13.14 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.152 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.551 ' CE2' ' NE2' ' A' ' 147' ' ' GLN . 84.7 t80 -84.41 -51.11 7.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 28.7 ptt85 -62.7 -23.64 67.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.867 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 55.8 t -79.54 -21.24 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.088 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -83.97 -39.02 20.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . 0.551 ' NE2' ' CE2' ' A' ' 143' ' ' PHE . 56.4 mt-30 -54.63 -43.52 72.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.926 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -56.25 -85.03 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.509 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 41.65 41.76 1.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.771 0.32 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 11.6 t -142.91 143.31 31.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -110.97 146.33 17.62 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.497 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -3.8 12.77 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.687 2.258 . . . . 0.0 112.36 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 35.8 t -40.2 152.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.806 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 26.3 t -111.13 -44.45 3.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.546 179.95 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.4 p -166.51 153.8 9.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.824 0.345 . . . . 0.0 110.859 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 p -118.81 56.74 0.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.837 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.93 158.61 9.61 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.525 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.8 t -90.05 138.09 31.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.862 0.363 . . . . 0.0 110.891 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.5 p -167.15 134.28 2.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.69 144.08 11.57 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.481 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.498 ' O ' ' CG ' ' A' ' 9' ' ' ARG . 53.6 Cg_endo -69.77 4.08 2.4 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.672 2.248 . . . . 0.0 112.379 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.498 ' CG ' ' O ' ' A' ' 8' ' ' PRO . 4.0 ptm180 50.12 30.1 4.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.3 tptp -134.47 156.21 48.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.58 59.76 3.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.054 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.9 t -172.41 176.91 3.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.826 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.1 mtp180 -108.2 87.89 2.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -148.1 152.38 39.67 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.604 0.716 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.91 149.46 65.99 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.669 2.246 . . . . 0.0 112.276 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 17' ' ' ARG . 54.2 Cg_endo -69.67 -31.08 21.64 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.74 2.293 . . . . 0.0 112.341 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.439 ' CD ' ' O ' ' A' ' 97' ' ' HIS . 6.4 mmm180 -36.4 -68.99 0.12 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -76.74 100.2 5.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -146.19 113.49 6.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 75.7 m -127.37 147.07 50.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 72.3 m -154.89 162.25 41.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.525 ' CB ' ' CD ' ' A' ' 65' ' ' GLN . . . -124.43 113.1 17.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.04 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.421 ' CG2' HG12 ' A' ' 142' ' ' VAL . 15.1 t -104.47 152.98 21.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.091 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.1 t -133.92 145.45 49.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 78.7 t -100.5 113.8 37.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.169 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.2 tp -100.78 124.27 46.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -130.19 155.62 45.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.405 ' CD ' HD13 ' A' ' 109' ' ' LEU . 46.0 mt-30 -144.44 147.65 37.45 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.546 0.689 . . . . 0.0 110.932 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 120.21 7.03 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.633 2.222 . . . . 0.0 112.355 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -111.24 150.9 17.88 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.467 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -38.45 -56.89 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.762 0.315 . . . . 0.0 111.091 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 32.1 mt -63.05 -48.19 79.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.62 -83.15 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.483 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -168.13 158.99 10.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.792 0.329 . . . . 0.0 111.119 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -152.9 156.67 39.38 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.5 pt -109.27 173.57 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.173 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.9 tp -106.49 148.66 27.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.96 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.521 ' CD1' ' CD1' ' A' ' 53' ' ' PHE . 9.1 tp -146.22 131.42 18.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.463 HG13 ' CD2' ' A' ' 76' ' ' TRP . 34.1 m -111.88 155.03 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.052 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -107.96 125.4 51.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -63.78 137.77 97.19 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.602 0.715 . . . . 0.0 110.85 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -16.28 37.6 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.68 2.254 . . . . 0.0 112.425 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.422 ' C ' ' HB2' ' A' ' 48' ' ' ALA . 15.7 m120 -44.66 168.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.8 t -161.4 118.52 2.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 162.42 -145.41 10.67 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.474 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.5 mt -53.41 -65.7 0.52 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.905 0.383 . . . . 0.0 110.947 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.9 tt -117.34 70.18 0.78 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.429 ' O ' ' CD2' ' A' ' 50' ' ' LEU . . . -140.27 171.81 13.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.161 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.06 18.72 73.14 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.51 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.435 ' N ' HD21 ' A' ' 50' ' ' LEU . 3.2 mm? -90.61 144.82 25.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.833 0.349 . . . . 0.0 110.864 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.453 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 87.4 m95 -76.25 142.52 41.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.904 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -170.96 160.88 6.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.521 ' CD1' ' CD1' ' A' ' 38' ' ' LEU . 14.8 m-85 -64.37 147.62 97.0 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.658 0.742 . . . . 0.0 110.891 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 142.55 48.39 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.713 2.276 . . . . 0.0 112.415 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 84.4 p -146.49 168.86 20.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.849 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.7 m -128.94 171.06 17.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.19 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.8 t -54.13 152.82 5.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 87.6 t90 -70.23 142.45 52.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -130.48 132.15 23.81 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.66 0.743 . . . . 0.0 110.947 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -25.34 28.53 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.66 2.24 . . . . 0.0 112.315 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.1 t -93.1 129.65 39.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.869 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -54.26 -26.99 32.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -83.32 -61.37 1.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.5 mp -41.56 -39.2 1.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.525 ' CD ' ' CB ' ' A' ' 22' ' ' ALA . 2.9 tp-100 -59.71 -57.31 13.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 70.4 mtm180 -60.03 -40.76 90.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.2 mtpt -51.17 -51.56 52.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 70' ' ' LEU . . . -73.62 -51.96 15.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 68' ' ' ALA . 65.8 tp -34.28 -35.2 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 68' ' ' ALA . 91.8 mt -87.81 -45.3 10.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.964 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 68' ' ' ALA . 5.9 pt20 -46.33 -23.04 0.3 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -92.5 -52.58 4.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.8 mt -45.81 -44.49 14.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.969 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -55.39 -38.7 69.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.943 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -51.46 -30.16 18.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.804 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.463 ' CD2' HG13 ' A' ' 39' ' ' VAL . 63.4 m95 -92.36 -71.47 0.64 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.976 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.423 ' CB ' HG22 ' A' ' 115' ' ' VAL . . . -75.15 -73.73 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.082 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 150.46 -100.9 0.21 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.514 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 114.17 3.61 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.702 2.268 . . . . 0.0 112.417 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -128.96 136.19 28.8 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.61 0.719 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -179.91 3.24 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.776 2.317 . . . . 0.0 112.298 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -125.19 -56.37 1.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 41.4 p -64.12 -40.27 95.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.092 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -49.57 -39.31 34.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.1 tp -54.62 120.39 6.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.1 tpp85 -127.4 142.74 51.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 21.8 t-80 -81.78 124.28 29.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 38.2 mt -128.03 92.17 3.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.935 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 57.63 -175.43 1.88 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.462 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -141.06 170.59 15.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.944 0.402 . . . . 0.0 110.839 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.4 HG23 ' CG2' ' A' ' 104' ' ' VAL . 44.4 t -135.32 119.54 26.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 44.8 t -134.19 107.19 9.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -99.24 123.52 43.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 24.5 m -92.41 109.6 20.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -83.64 -175.92 6.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 30.7 t -49.79 -72.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.439 ' O ' ' CD ' ' A' ' 17' ' ' ARG . 13.9 p-80 -118.82 29.03 7.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.855 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.419 HG13 ' C ' ' A' ' 97' ' ' HIS . 23.1 mt -142.53 149.6 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.087 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -132.06 121.45 23.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -106.59 154.12 21.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 91.8 m -135.01 103.92 5.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.119 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -105.78 136.41 45.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -104.03 114.94 29.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.4 ' CG2' HG23 ' A' ' 91' ' ' VAL . 85.1 t -72.81 126.38 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -139.52 113.11 8.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -86.0 145.3 20.64 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.469 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.431 ' C ' ' CD1' ' A' ' 107' ' ' LEU . 2.3 tm? -156.97 114.95 3.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.788 0.327 . . . . 0.0 110.993 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -131.43 153.05 50.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.102 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.405 HD13 ' CD ' ' A' ' 28' ' ' GLN . 71.7 mt -95.75 108.3 20.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -48.84 -36.02 15.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 141.72 41.41 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.511 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -80.78 -67.84 0.74 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.841 0.353 . . . . 0.0 110.898 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.2 p -152.5 143.18 15.52 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.568 0.699 . . . . 0.0 111.142 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 170.69 16.03 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.558 2.172 . . . . 0.0 112.358 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.48 ' O ' ' N ' ' A' ' 117' ' ' THR . 2.4 p -102.67 -40.15 6.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.16 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 17.1 p 38.87 26.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.48 ' N ' ' O ' ' A' ' 115' ' ' VAL . 18.3 m -136.6 125.98 24.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.09 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.47 ' O ' ' CG1' ' A' ' 118' ' ' VAL . 4.5 p -165.71 119.51 0.91 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.617 0.723 . . . . 0.0 111.165 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 170.1 17.28 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.706 2.271 . . . . 0.0 112.365 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 3.07 2.98 Favored 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.76 2.307 . . . . 0.0 112.309 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -105.41 2.51 39.89 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.513 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.406 ' HB3' ' CG2' ' A' ' 118' ' ' VAL . . . -129.06 168.54 15.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.813 0.34 . . . . 0.0 111.063 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -151.46 134.9 16.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 38.0 m95 -102.18 111.01 23.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.439 ' HB2' ' CB ' ' A' ' 129' ' ' GLU . 1.3 pp -125.58 169.26 12.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.88 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 7.3 p -85.55 175.19 8.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.093 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 16.7 mp0 -61.69 -41.56 97.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.966 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -74.84 -24.08 58.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.439 ' CB ' ' HB2' ' A' ' 125' ' ' LEU . 20.5 mt-10 -73.24 -39.53 65.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.501 ' CE2' ' CZ ' ' A' ' 53' ' ' PHE . 3.8 t80 -62.97 -47.86 81.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . 0.419 ' CE1' ' CE2' ' A' ' 143' ' ' PHE . 11.1 m-70 -43.46 -62.14 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.812 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 36.3 p -61.75 -29.07 69.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.115 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -56.75 152.65 11.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.098 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.73 99.9 6.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.409 HG22 ' CE2' ' A' ' 130' ' ' PHE . 2.3 t -126.67 147.58 31.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.117 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 137' ' ' THR . 34.5 t -68.77 138.92 55.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 136' ' ' SER . 91.4 m -33.95 -65.86 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.136 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 137' ' ' THR . . . -36.75 -69.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' MET . . . . . 0.411 ' O ' ' N ' ' A' ' 142' ' ' VAL . 36.0 mmm -42.59 -59.4 1.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? -43.99 -38.59 3.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.927 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -67.55 -34.0 76.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.888 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.421 HG12 ' CG2' ' A' ' 23' ' ' THR . 90.2 t -64.53 -19.74 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.052 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.419 ' CE2' ' CE1' ' A' ' 131' ' ' HIS . 64.8 t80 -81.72 -55.58 4.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -55.6 -17.89 6.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.787 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 40.8 t -87.08 -36.45 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.143 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -68.42 -32.1 71.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.962 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -48.91 -50.5 34.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -94.16 115.62 5.06 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.497 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -83.68 -61.72 1.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.705 0.288 . . . . 0.0 110.87 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 68.9 m -67.24 146.89 53.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.849 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 133.06 -95.03 0.28 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.487 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -18.68 36.87 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.719 2.279 . . . . 0.0 112.351 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 45.7 m -58.74 -54.26 49.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.817 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 20.1 t -128.59 132.67 48.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.819 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.511 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.2 m -161.47 166.94 26.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.86 0.362 . . . . 0.0 110.897 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.7 m -83.7 -60.27 2.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.3 -142.58 33.01 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.535 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 m 49.29 48.68 20.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.853 0.359 . . . . 0.0 110.881 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -173.74 160.14 3.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.845 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.15 -146.71 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.524 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 108.9 2.18 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.691 2.261 . . . . 0.0 112.314 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.4 mmm-85 -81.03 162.04 23.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.863 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 11' ' ' ALA . 0.3 OUTLIER -170.51 160.04 7.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 10' ' ' LYS . . . -34.0 -58.1 0.45 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.089 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.3 t -114.01 47.92 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.79 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.6 mtt85 39.56 34.84 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? -55.49 152.63 16.84 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.593 0.711 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 169.77 18.17 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.739 2.293 . . . . 0.0 112.296 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.8 Cg_endo -69.76 -23.21 31.06 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.677 2.251 . . . . 0.0 112.305 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 16' ' ' PRO . 87.8 mtt180 -34.06 -59.5 0.42 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -95.18 100.23 12.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.899 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -140.58 113.54 8.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.838 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.4 ' HB2' ' CB ' ' A' ' 58' ' ' TRP . 7.1 m -120.31 140.04 51.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.897 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 73.8 m -156.93 155.38 31.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.889 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.544 ' CB ' ' CD ' ' A' ' 65' ' ' GLN . . . -116.83 118.0 31.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.063 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.1 t -109.3 150.2 28.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.064 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.3 t -135.19 144.67 47.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 93.4 t -95.16 121.92 46.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.161 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.1 tp -104.26 114.5 28.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -120.96 157.29 30.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -145.92 129.12 8.25 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.639 0.733 . . . . 0.0 110.944 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 116.88 4.77 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.653 2.235 . . . . 0.0 112.351 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 31' ' ' ALA . . . -129.78 164.2 22.6 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.505 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 30' ' ' GLY . . . -36.52 -63.79 0.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.366 . . . . 0.0 111.099 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.1 mt -43.33 -42.33 4.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 153.3 -67.94 0.31 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.526 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.72 146.37 13.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.797 0.332 . . . . 0.0 111.09 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -149.68 131.51 15.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.937 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.6 pt -101.57 175.6 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.1 tp -106.69 149.04 27.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.431 HD12 ' CE1' ' A' ' 53' ' ' PHE . 10.6 tp -145.54 124.27 12.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.508 HG12 ' CD2' ' A' ' 76' ' ' TRP . 35.5 m -103.65 150.12 7.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.528 ' HB2' ' CE3' ' A' ' 51' ' ' TRP . 40.4 tt0 -98.95 160.31 14.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.0 mtt-85 -93.94 149.57 37.17 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.611 0.72 . . . . 0.0 110.841 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 166.82 26.42 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.639 2.226 . . . . 0.0 112.361 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.486 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 64.0 t30 -44.92 -57.74 3.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 t -82.83 138.76 33.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 46' ' ' LEU . . . 132.67 128.08 2.87 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.485 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 45' ' ' GLY . 16.3 mt -36.0 131.06 0.59 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.763 0.316 . . . . 0.0 110.943 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 76.0 mt 60.47 39.68 18.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 43' ' ' ASN . . . -60.03 143.16 52.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.088 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 88.95 19.0 53.03 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.459 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.402 ' N ' HD21 ' A' ' 50' ' ' LEU . 3.2 mm? -116.7 142.46 46.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.835 0.35 . . . . 0.0 110.903 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.528 ' CE3' ' HB2' ' A' ' 40' ' ' GLN . 77.1 m95 -90.11 141.02 29.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.973 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -165.8 152.25 9.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.854 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.431 ' CE1' HD12 ' A' ' 38' ' ' LEU . 21.7 m-85 -54.53 146.71 32.75 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.677 0.751 . . . . 0.0 110.857 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.443 ' CG ' HD23 ' A' ' 73' ' ' LEU . 54.2 Cg_endo -69.72 141.77 46.29 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.683 2.255 . . . . 0.0 112.413 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.8 p -146.57 158.03 43.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.85 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.433 ' CG2' ' HA ' ' A' ' 69' ' ' LEU . 16.9 m -119.18 179.73 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.196 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.2 t -62.6 150.62 40.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.161 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.4 ' CB ' ' HB2' ' A' ' 20' ' ' SER . 89.9 t90 -67.96 147.9 51.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -133.31 133.36 22.77 Favored Pre-proline 0 C--N 1.331 -0.218 0 CA-C-O 121.665 0.745 . . . . 0.0 110.828 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -24.27 29.64 Favored 'Trans proline' 0 N--CA 1.465 -0.198 0 C-N-CA 122.748 2.299 . . . . 0.0 112.316 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.2 t -100.04 128.49 46.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.873 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.74 -38.31 15.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 64' ' ' LEU . 31.0 tt0 -71.03 -66.35 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.961 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 63' ' ' GLN . 5.5 mp -36.04 -41.9 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.544 ' CD ' ' CB ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -58.59 -52.32 66.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.903 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 41.6 mtt180 -65.27 -46.68 79.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.9 mtpt -47.37 -56.63 6.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' A' ' 70' ' ' LEU . . . -72.85 -52.06 16.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.055 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 68' ' ' ALA . 17.5 tp -34.59 -32.39 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' A' ' 68' ' ' ALA . 90.0 mt -86.97 -42.89 12.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.953 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 68' ' ' ALA . 5.5 pt20 -44.32 -30.6 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -82.33 -55.62 4.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.443 HD23 ' CG ' ' A' ' 54' ' ' PRO . 18.1 mt -46.66 -47.06 20.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -53.02 -35.19 59.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -56.65 -33.62 66.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.508 ' CD2' HG12 ' A' ' 39' ' ' VAL . 67.1 m95 -86.72 -71.63 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.469 ' HB3' ' CG2' ' A' ' 115' ' ' VAL . . . -74.74 -71.44 0.35 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.125 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 146.93 -100.25 0.22 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.515 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 107.8 1.94 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.726 2.284 . . . . 0.0 112.337 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -118.6 139.84 27.55 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.589 0.709 . . . . 0.0 110.918 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.466 ' HG2' ' CD2' ' A' ' 107' ' ' LEU . 52.9 Cg_endo -69.75 -173.6 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.7 2.267 . . . . 0.0 112.352 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -134.64 -54.94 0.83 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.145 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 21.2 p -64.64 -55.59 19.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.151 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -39.51 -42.02 1.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 29.2 tp -53.28 127.94 26.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.953 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -141.72 156.93 45.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.407 ' HB2' ' CE1' ' A' ' 105' ' ' TYR . 18.7 t-80 -93.91 126.84 39.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.0 mt -127.99 93.78 3.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 60.69 -166.65 11.83 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.456 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.84 170.54 19.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.907 0.384 . . . . 0.0 110.895 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.451 HG23 ' CG2' ' A' ' 104' ' ' VAL . 71.7 t -140.96 105.19 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 53.3 t -115.3 103.58 15.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.129 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -99.98 138.38 37.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 54.2 m -108.43 104.58 13.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.179 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -85.54 -175.4 5.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.548 ' O ' ' CG ' ' A' ' 97' ' ' HIS . 2.2 m -48.75 109.7 0.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.548 ' CG ' ' O ' ' A' ' 96' ' ' SER . 21.6 p-80 46.44 31.75 1.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 38.8 mt -141.32 151.06 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -133.44 119.12 19.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -107.71 142.81 37.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 63.8 m -124.37 103.92 8.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.175 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -106.38 130.93 54.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -95.46 113.11 24.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.451 ' CG2' HG23 ' A' ' 91' ' ' VAL . 75.5 t -71.12 123.59 25.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.133 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.407 ' CE1' ' HB2' ' A' ' 87' ' ' HIS . 34.5 m-85 -136.23 133.38 36.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.006 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -109.23 140.6 15.73 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.498 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.466 ' CD2' ' HG2' ' A' ' 81' ' ' PRO . 1.9 tm? -157.47 112.41 2.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.865 0.364 . . . . 0.0 110.904 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -132.44 140.07 48.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.048 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 70.9 mt -80.67 102.75 10.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -65.41 -53.83 37.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -151.22 39.26 0.82 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.568 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -98.1 -178.18 3.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.869 0.366 . . . . 0.0 110.942 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 21.2 p -71.04 144.93 90.77 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.548 0.689 . . . . 0.0 111.166 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 172.58 12.44 Favored 'Trans proline' 0 C--N 1.34 0.116 0 C-N-CA 122.699 2.266 . . . . 0.0 112.248 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.469 ' CG2' ' HB3' ' A' ' 77' ' ' ALA . 7.9 p -99.42 -45.79 12.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.4 ' N ' HG11 ' A' ' 115' ' ' VAL . 34.9 p 44.3 29.0 0.33 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.111 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 32.3 m -142.8 137.81 29.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.476 ' O ' ' CG1' ' A' ' 118' ' ' VAL . 4.2 p -174.3 119.2 0.35 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.567 0.698 . . . . 0.0 111.177 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 170.28 16.94 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.662 2.241 . . . . 0.0 112.316 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 3.36 2.84 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.618 2.212 . . . . 0.0 112.402 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -103.91 -2.79 45.88 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.556 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -124.4 170.55 10.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.73 0.3 . . . . 0.0 111.167 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.42 ' HB2' ' NH1' ' A' ' 123' ' ' ARG . 1.1 ptm85 -151.94 134.96 15.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.84 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 21.4 m95 -102.73 106.91 17.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.934 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 pp -125.38 169.85 11.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.938 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 7.7 p -90.7 160.91 15.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -46.73 -48.47 20.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -56.71 -47.99 78.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -59.76 -42.18 92.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.522 ' CE1' HG21 ' A' ' 135' ' ' VAL . 48.3 t80 -53.86 -50.24 66.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.84 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 33.5 m-70 -49.22 -51.04 35.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 71.9 p -70.56 -18.06 62.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -69.95 147.54 50.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.129 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -71.76 96.75 1.66 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.522 HG21 ' CE1' ' A' ' 130' ' ' PHE . 1.9 t -130.31 145.78 35.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 13.7 p -69.47 151.57 45.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 18.5 m -46.23 -56.3 5.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -39.78 -62.12 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 28.2 mmm -59.59 -50.42 73.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . 0.408 ' CG ' ' HB ' ' A' ' 135' ' ' VAL . 12.1 mtpt -53.2 -21.22 4.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 31.0 mttp -86.19 -27.72 24.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 84.4 t -66.2 -20.8 27.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.114 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.423 ' CE2' ' NE2' ' A' ' 147' ' ' GLN . 68.0 t80 -77.02 -59.14 2.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -51.68 -31.07 24.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.83 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 95.6 t -77.25 -30.76 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.093 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -72.99 -34.55 66.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . 0.423 ' NE2' ' CE2' ' A' ' 143' ' ' PHE . 27.7 mt-30 -64.7 -50.77 65.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -118.54 80.5 0.31 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.546 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . 0.519 ' CD ' ' N ' ' A' ' 150' ' ' SER . 1.8 pp0? -55.47 -51.02 68.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.806 0.336 . . . . 0.0 110.934 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' SER . . . . . 0.519 ' N ' ' CD ' ' A' ' 149' ' ' GLN . 20.9 m -40.72 -50.89 3.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 130.33 -154.19 20.5 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.554 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 166.91 26.13 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.621 2.214 . . . . 0.0 112.364 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 69.8 p -159.64 -175.84 5.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 4.5 t -127.06 175.59 8.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.892 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.458 -179.988 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.3 p -140.98 114.25 8.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.91 0.386 . . . . 0.0 110.82 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -54.73 153.39 6.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.82 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.0 148.37 7.94 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.473 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.9 t -159.51 132.62 6.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.91 0.386 . . . . 0.0 110.873 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.9 m -98.14 75.41 2.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.821 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.22 -154.54 24.43 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.447 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 118.49 5.71 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.712 2.275 . . . . 0.0 112.37 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 11' ' ' ALA . 22.0 mmt180 -48.45 -74.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.814 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.424 ' HG2' ' N ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -39.39 -27.44 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 9' ' ' ARG . . . -121.03 73.96 1.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.071 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.0 m -80.75 -51.54 8.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.9 mtt180 -80.07 -38.38 31.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -100.68 162.65 20.05 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.555 0.693 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 169.83 18.08 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.69 2.26 . . . . 0.0 112.306 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.8 Cg_endo -69.68 -24.88 29.55 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.682 2.254 . . . . 0.0 112.348 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 16' ' ' PRO . 39.7 mtt180 -37.9 -63.77 0.45 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -79.08 100.29 7.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.798 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -146.62 113.44 6.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.94 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.3 m -123.3 142.91 50.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.3 m -150.3 157.31 42.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.804 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.418 ' HB2' ' NE2' ' A' ' 65' ' ' GLN . . . -123.37 107.38 11.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.096 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.5 t -104.4 147.52 27.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.147 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 43.1 t -130.94 153.26 49.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 98.0 t -101.31 125.72 55.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.107 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 47.2 tp -107.46 106.64 17.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.44 ' OE2' ' C ' ' A' ' 35' ' ' GLN . 3.1 tp10 -118.09 143.64 46.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.514 ' HG2' ' CZ3' ' A' ' 124' ' ' TRP . 1.3 pt20 -149.56 141.04 14.65 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.571 0.7 . . . . 0.0 110.915 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 132.32 22.95 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.62 2.214 . . . . 0.0 112.298 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -107.69 -138.42 8.69 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.464 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.85 -51.59 6.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.848 0.356 . . . . 0.0 111.119 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.1 mt -79.24 -40.56 30.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -164.67 -93.2 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.493 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -156.22 159.47 38.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.725 0.298 . . . . 0.0 111.131 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.44 ' C ' ' OE2' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -150.38 146.36 26.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.409 HG22 ' CD ' ' A' ' 27' ' ' GLU . 3.4 pt -98.47 176.78 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.452 ' HB2' ' CE2' ' A' ' 124' ' ' TRP . 11.8 tp -109.47 147.61 32.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.418 HD13 ' C ' ' A' ' 52' ' ' GLU . 9.9 tp -142.57 122.32 13.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 31.3 m -106.48 158.89 6.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.095 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -124.34 122.4 37.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.404 ' NH1' ' HG3' ' A' ' 52' ' ' GLU . 9.1 mpt_? -64.03 157.72 67.35 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.654 0.74 . . . . 0.0 110.864 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 -167.75 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.721 2.281 . . . . 0.0 112.341 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -80.14 55.04 2.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.96 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.7 p -50.39 -57.01 8.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -174.47 -135.4 2.04 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.507 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 28.0 mt -47.36 -75.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.876 0.37 . . . . 0.0 110.969 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.9 tp -81.94 79.54 8.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.402 ' O ' ' CD2' ' A' ' 50' ' ' LEU . . . -130.5 165.89 21.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.059 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.66 32.29 81.0 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.496 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.402 ' CD2' ' O ' ' A' ' 48' ' ' ALA . 4.5 mm? -107.42 136.26 47.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.368 . . . . 0.0 110.887 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.487 ' CZ3' ' HG2' ' A' ' 123' ' ' ARG . 86.1 m95 -71.95 133.95 45.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.904 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.418 ' C ' HD13 ' A' ' 38' ' ' LEU . 3.6 pt-20 -170.3 165.69 8.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.689 ' CZ ' ' CE1' ' A' ' 130' ' ' PHE . 19.6 m-85 -70.12 148.19 95.87 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.618 0.723 . . . . 0.0 110.816 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 142.59 48.21 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.633 2.222 . . . . 0.0 112.338 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.1 p -144.23 159.17 43.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.9 m -124.51 176.55 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 21.3 p -61.43 144.03 54.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.163 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 86.7 t90 -63.54 141.81 58.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -124.11 135.04 25.91 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.588 0.708 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -28.57 25.22 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.628 2.219 . . . . 0.0 112.369 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.1 t -92.51 151.65 20.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -70.49 -30.07 66.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 47.0 tp60 -81.7 -61.28 1.97 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.424 ' CD1' ' N ' ' A' ' 64' ' ' LEU . 1.0 OUTLIER -39.19 -41.99 0.92 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.957 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.418 ' NE2' ' HB2' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -55.24 -52.01 64.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.889 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.3 mtp180 -68.06 -49.19 62.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -45.69 -57.6 4.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.924 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.75 -49.32 47.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.1 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 31.6 tp -40.77 -45.25 2.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 86.1 mt -69.76 -51.11 36.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.843 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.402 ' HA ' ' NE2' ' A' ' 74' ' ' GLN . 20.3 mm-40 -36.94 -42.02 0.37 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -69.06 -55.91 9.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 37.4 mt -45.55 -47.39 14.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.402 ' NE2' ' HA ' ' A' ' 71' ' ' GLN . 37.9 mt-30 -52.8 -43.41 65.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 64.9 mtp180 -51.36 -34.11 32.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 82.2 m95 -87.08 -70.91 0.58 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -77.98 -71.67 0.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 147.18 -99.04 0.2 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.559 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 108.25 2.03 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.67 2.247 . . . . 0.0 112.338 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -120.66 133.24 24.03 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.599 0.714 . . . . 0.0 110.932 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 174.6 9.3 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.668 2.245 . . . . 0.0 112.369 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -118.57 -52.63 2.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.094 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 85.3 m -66.2 -49.79 66.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.166 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -41.56 -43.74 2.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.824 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 37.3 tp -52.08 134.42 32.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 56.7 mtt180 -154.97 136.91 14.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.465 ' HB2' ' CE1' ' A' ' 105' ' ' TYR . 16.6 t-80 -75.31 124.09 26.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.817 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 40.8 mt -128.42 91.85 3.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 74.74 -172.78 52.62 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.51 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -150.12 170.93 17.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.845 0.355 . . . . 0.0 110.902 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.454 HG21 ' CG2' ' A' ' 104' ' ' VAL . 75.2 t -139.14 106.15 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.178 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 73.2 t -120.7 102.61 12.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.134 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 58.2 t60 -98.18 108.54 21.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.853 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 38.3 m -81.52 108.05 14.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.151 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -82.68 178.23 8.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.861 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 12.8 t -48.96 -69.46 0.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.535 ' CD2' HG13 ' A' ' 98' ' ' ILE . 0.4 OUTLIER -118.0 29.69 7.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.535 HG13 ' CD2' ' A' ' 97' ' ' HIS . 63.9 mt -146.8 144.58 20.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.434 ' N ' HG23 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -127.83 116.52 20.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.877 179.825 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.47 HD22 ' N ' ' A' ' 100' ' ' LEU . 4.1 mm? -103.51 146.16 28.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 94.1 m -132.48 97.66 4.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.085 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -98.83 144.77 27.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -106.46 115.35 30.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.95 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.454 ' CG2' HG21 ' A' ' 91' ' ' VAL . 84.2 t -74.69 124.39 32.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.2 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.465 ' CE1' ' HB2' ' A' ' 87' ' ' HIS . 42.4 m-85 -131.89 134.92 46.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.963 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -109.72 131.79 10.68 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.466 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.419 ' C ' HD12 ' A' ' 107' ' ' LEU . 1.4 tm? -147.6 119.96 8.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.814 0.34 . . . . 0.0 110.956 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -137.97 150.91 47.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 57.6 mt -93.52 103.05 15.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -39.05 -44.75 1.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 148.44 62.36 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.53 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -105.53 -71.44 0.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.931 0.396 . . . . 0.0 110.91 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 38.2 p -147.51 139.97 14.38 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.582 0.706 . . . . 0.0 111.103 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 172.38 12.66 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.699 2.266 . . . . 0.0 112.36 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.7 p -96.86 -42.49 11.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 30.6 p 43.52 31.34 0.42 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.138 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 24.4 m -143.71 129.96 19.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.417 ' CG2' ' HB2' ' A' ' 122' ' ' ALA . 8.1 p -171.93 127.7 0.6 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.681 0.753 . . . . 0.0 111.075 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 169.75 18.2 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.754 2.303 . . . . 0.0 112.306 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 2.65 3.35 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.67 2.246 . . . . 0.0 112.311 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -109.01 15.08 33.83 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.512 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.417 ' HB2' ' CG2' ' A' ' 118' ' ' VAL . . . -138.73 169.94 16.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.737 0.303 . . . . 0.0 111.117 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.487 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 10.9 ptm180 -151.98 141.53 21.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' TRP . . . . . 0.514 ' CZ3' ' HG2' ' A' ' 28' ' ' GLN . 29.3 m95 -107.91 109.74 21.33 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.416 HD13 ' C ' ' A' ' 125' ' ' LEU . 0.9 OUTLIER -124.83 169.81 11.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 18.5 p -80.39 170.74 15.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -53.74 -54.69 34.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -57.51 -53.53 57.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -42.08 -46.33 4.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.689 ' CE1' ' CZ ' ' A' ' 53' ' ' PHE . 15.6 t80 -53.23 -53.76 45.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.849 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -43.2 -57.29 3.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 23.4 p -62.14 -50.92 69.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.138 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -36.48 153.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.104 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -71.9 99.21 2.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.083 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.444 ' HB ' ' CG ' ' A' ' 140' ' ' LYS . 3.4 t -130.03 138.76 53.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.159 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 48.4 p -66.76 156.25 35.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 24.9 m -48.0 -57.48 5.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.08 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -43.0 -70.3 0.11 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.082 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' MET . . . . . 0.408 ' HB2' ' CG1' ' A' ' 135' ' ' VAL . 32.0 mmm -49.8 -48.51 50.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . 0.444 ' CG ' ' HB ' ' A' ' 135' ' ' VAL . 57.4 mttt -52.26 -31.95 34.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 33.7 mtpt -74.09 -43.17 58.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.948 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 60.4 t -50.73 -27.64 5.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -73.19 -70.75 0.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -43.27 -33.74 1.03 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 72.0 t -70.22 -39.38 76.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.068 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -72.69 -42.01 64.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -40.68 -62.04 0.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.961 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -93.62 118.35 5.68 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.525 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -127.98 130.07 47.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.843 0.354 . . . . 0.0 110.856 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 25.7 p -76.34 94.87 3.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -142.98 -176.88 17.46 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.523 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.9 141.25 44.17 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.661 2.24 . . . . 0.0 112.304 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 69.6 m -79.05 -55.3 5.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 44.5 p -154.15 132.07 11.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.851 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.468 -179.965 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -140.32 135.68 32.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.889 0.376 . . . . 0.0 110.852 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -145.92 146.25 30.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.28 -137.89 2.64 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.476 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.9 p -116.53 163.07 16.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.912 0.386 . . . . 0.0 110.831 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.4 ' HB3' ' NH1' ' A' ' 41' ' ' ARG . 17.3 m -87.16 42.16 1.02 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.41 87.45 0.43 Allowed Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.469 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 0.53 5.45 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.726 2.284 . . . . 0.0 112.338 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.7 tpp180 -77.94 -49.8 13.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.6 pttt -73.38 -19.3 61.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.22 117.41 10.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.085 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.6 m -100.49 -35.52 9.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.468 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 2.1 ppt_? -40.74 -32.18 0.2 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.888 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.468 ' N ' ' HD2' ' A' ' 13' ' ' ARG . 16.5 mmtm -138.68 146.11 49.09 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.565 0.698 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 146.23 59.96 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.745 2.297 . . . . 0.0 112.339 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -30.77 21.75 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.743 2.295 . . . . 0.0 112.33 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -38.73 -65.35 0.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -85.85 100.33 11.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -143.51 113.46 7.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.0 m -121.91 144.78 48.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.5 m -148.98 158.22 44.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.418 ' HB2' ' CD ' ' A' ' 65' ' ' GLN . . . -113.25 113.02 24.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.071 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.3 t -108.99 146.29 34.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.17 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.429 ' SG ' ' N ' ' A' ' 25' ' ' VAL . 1.6 t -131.99 156.77 45.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.429 ' N ' ' SG ' ' A' ' 24' ' ' CYS . 47.1 t -107.89 99.65 9.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.141 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.1 tp -86.4 110.26 19.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.424 ' HG2' ' N ' ' A' ' 28' ' ' GLN . 22.9 tt0 -122.55 151.37 41.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.448 ' NE2' ' HA ' ' A' ' 114' ' ' PRO . 9.6 tt0 -140.28 138.24 18.88 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.601 0.715 . . . . 0.0 110.945 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 125.42 12.12 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.728 2.285 . . . . 0.0 112.339 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -113.6 -97.85 2.28 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.447 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -127.95 -73.2 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.837 0.351 . . . . 0.0 111.117 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.5 mt -57.24 -39.71 76.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.923 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -167.39 -80.91 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.511 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -166.92 166.37 15.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.749 0.309 . . . . 0.0 111.094 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -136.28 138.0 41.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.4 pt -103.83 172.8 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.5 tp -108.3 140.14 41.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.411 HD13 ' C ' ' A' ' 52' ' ' GLU . 10.4 tp -137.34 125.6 23.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.505 HG12 ' CD2' ' A' ' 76' ' ' TRP . 34.9 m -111.38 131.76 61.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.404 ' HB2' ' CZ3' ' A' ' 51' ' ' TRP . 29.9 tt0 -71.21 160.05 33.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.4 ' NH1' ' HB3' ' A' ' 6' ' ' SER . 2.6 mmp_? -104.3 152.85 39.31 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.563 0.697 . . . . 0.0 110.869 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 159.66 52.58 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.653 2.236 . . . . 0.0 112.363 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -77.46 91.73 3.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.2 t -129.58 83.2 2.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 57.18 -147.16 35.27 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.494 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 11.7 mt -39.46 159.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.942 0.401 . . . . 0.0 110.833 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.0 mp 42.83 46.65 4.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -88.91 115.95 26.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 88.53 52.24 2.89 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 134' ' ' ALA . 3.5 mm? -116.75 140.17 49.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.33 . . . . 0.0 110.941 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.404 ' CZ3' ' HB2' ' A' ' 40' ' ' GLN . 82.4 m95 -88.85 133.21 34.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.411 ' C ' HD13 ' A' ' 38' ' ' LEU . 5.6 pt-20 -160.7 157.7 27.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.614 ' CZ ' ' CE2' ' A' ' 130' ' ' PHE . 15.8 m-85 -56.25 146.31 52.62 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.636 0.731 . . . . 0.0 110.903 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 143.99 52.45 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.724 2.283 . . . . 0.0 112.304 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.2 p -145.68 160.85 41.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.9 m -124.37 175.97 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.143 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.7 p -58.88 135.5 57.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.47 ' CG ' ' N ' ' A' ' 59' ' ' GLU . 80.2 t90 -60.54 165.62 3.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.862 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.47 ' N ' ' CG ' ' A' ' 58' ' ' TRP . 5.9 mm-40 -148.69 139.69 13.75 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.715 0.769 . . . . 0.0 110.825 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -17.47 37.72 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.625 2.217 . . . . 0.0 112.37 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.4 t -103.94 155.47 18.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -78.54 -23.77 46.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -86.68 -48.58 8.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.3 mp -55.99 -34.2 65.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.418 ' CD ' ' HB2' ' A' ' 22' ' ' ALA . 8.4 tp60 -61.02 -54.56 43.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 57.1 mtp180 -63.33 -38.71 92.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.861 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.2 mtmt -49.87 -65.28 0.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.942 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.76 -37.24 86.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 22.5 tp -44.13 -60.93 1.66 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 71' ' ' GLN . 86.0 mt -62.83 -48.4 79.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 70' ' ' LEU . 35.8 mm-40 -35.19 -38.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.941 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -79.51 -54.09 6.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 30.7 mt -42.68 -49.52 5.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -50.43 -44.73 55.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -51.8 -32.76 32.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.851 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.505 ' CD2' HG12 ' A' ' 39' ' ' VAL . 89.9 m95 -84.58 -71.35 0.52 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.456 ' CA ' HG23 ' A' ' 115' ' ' VAL . . . -80.51 -70.05 0.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.04 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 149.47 -99.79 0.2 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.542 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.8 111.42 2.81 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.701 2.267 . . . . 0.0 112.304 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -125.03 134.4 25.68 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.627 0.727 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.417 ' O ' ' CD1' ' A' ' 70' ' ' LEU . 53.2 Cg_endo -69.84 -173.93 0.82 Allowed 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.609 2.206 . . . . 0.0 112.264 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -131.26 -69.25 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.115 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 51.5 m -55.76 -34.99 65.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.198 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -54.04 -37.26 63.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.4 tp -61.35 119.86 9.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.956 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.7 tpp180 -127.43 138.85 53.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -71.13 122.85 20.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 38.5 mt -127.56 93.27 3.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.945 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 58.92 -174.32 3.28 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.457 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -142.54 170.57 15.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.903 0.382 . . . . 0.0 110.836 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.473 HG22 ' CG2' ' A' ' 104' ' ' VAL . 54.4 t -139.19 104.99 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.131 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.404 ' CG1' ' HE3' ' A' ' 99' ' ' LYS . 45.1 t -115.68 113.43 43.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.524 ' CD2' ' CE1' ' A' ' 95' ' ' PHE . 7.4 t60 -106.81 156.06 19.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.524 ' N ' ' CD2' ' A' ' 93' ' ' HIS . 24.7 m -125.63 123.15 38.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.167 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.524 ' CE1' ' CD2' ' A' ' 93' ' ' HIS . 39.4 m-85 -109.15 -178.33 3.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.54 ' O ' ' N ' ' A' ' 98' ' ' ILE . 65.3 m -53.39 127.57 25.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.824 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.582 ' CG ' ' O ' ' A' ' 97' ' ' HIS . 0.7 OUTLIER 34.42 30.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.81 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.54 ' N ' ' O ' ' A' ' 96' ' ' SER . 36.1 mt -145.38 159.89 12.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.459 ' N ' ' CG2' ' A' ' 98' ' ' ILE . 0.1 OUTLIER -142.21 131.04 22.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.852 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -119.47 149.76 41.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.971 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 18.3 m -138.36 115.09 10.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.171 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -114.05 138.82 49.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -101.75 115.97 31.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.473 ' CG2' HG22 ' A' ' 91' ' ' VAL . 60.1 t -70.6 127.15 32.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.074 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -136.05 108.64 7.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.944 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -84.84 133.93 12.22 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.468 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.438 ' C ' ' CD1' ' A' ' 107' ' ' LEU . 1.8 tm? -150.55 112.16 4.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.866 0.365 . . . . 0.0 110.894 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -129.73 137.97 50.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.129 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 60.8 mt -73.85 114.98 12.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.966 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -50.42 -18.07 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 117.61 51.01 0.35 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.527 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -91.72 -64.38 1.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.897 0.379 . . . . 0.0 110.943 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 11.8 p -154.41 141.43 13.42 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.587 0.708 . . . . 0.0 111.182 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.448 ' HA ' ' NE2' ' A' ' 28' ' ' GLN . 53.3 Cg_endo -69.73 -175.03 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.722 2.282 . . . . 0.0 112.34 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.456 HG23 ' CA ' ' A' ' 77' ' ' ALA . 8.4 p -119.98 -40.42 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.142 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.455 ' C ' ' O ' ' A' ' 115' ' ' VAL . 20.7 p 33.76 42.9 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.076 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 24.7 m -162.06 119.89 2.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.473 ' CG2' ' HD2' ' A' ' 119' ' ' PRO . 11.1 p -142.93 137.19 14.76 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.568 0.699 . . . . 0.0 111.133 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 118' ' ' VAL . 53.7 Cg_endo -69.78 166.53 27.3 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.688 2.259 . . . . 0.0 112.355 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 95.85 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.654 2.236 . . . . 0.0 112.329 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 145.51 -7.45 1.54 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.428 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.498 ' HB1' ' CE3' ' A' ' 76' ' ' TRP . . . -111.59 163.81 13.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.772 0.32 . . . . 0.0 111.126 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -146.2 138.84 25.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 29.1 m95 -107.22 101.12 10.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.807 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.407 HD13 ' C ' ' A' ' 125' ' ' LEU . 2.4 pp -118.75 169.85 9.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 6.7 p -84.69 166.57 16.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.196 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -51.49 -53.98 31.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.972 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -54.85 -50.45 68.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.817 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -47.63 -56.92 6.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.838 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.614 ' CE2' ' CZ ' ' A' ' 53' ' ' PHE . 10.2 t80 -38.89 -61.27 0.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.93 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . 0.421 ' C ' ' O ' ' A' ' 130' ' ' PHE . 3.1 m-70 -36.85 -62.09 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 63.1 p -57.19 -38.48 73.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.091 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -49.52 157.12 0.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.465 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . . . -76.8 98.57 4.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.041 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 1.1 t -129.29 145.91 35.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 14.7 t -74.13 154.69 39.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 98.7 m -41.95 -66.73 0.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.147 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -38.3 -62.57 0.57 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' MET . . . . . 0.402 ' HG3' ' CB ' ' A' ' 52' ' ' GLU . 45.4 mmm -50.45 -52.84 34.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 32.5 mttt -49.69 -28.08 5.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.419 ' NZ ' HG11 ' A' ' 91' ' ' VAL . 0.5 OUTLIER -80.56 -25.84 38.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.808 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 20.6 t -65.6 -26.4 38.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.12 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.614 ' CE2' ' NE2' ' A' ' 147' ' ' GLN . 56.9 t80 -79.02 -61.07 2.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.409 ' NH1' ' HB3' ' A' ' 144' ' ' ARG . 0.6 OUTLIER -48.74 -37.03 17.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.915 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 90.8 t -66.34 -37.49 79.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.076 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -73.61 -32.77 64.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.973 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . 0.614 ' NE2' ' CE2' ' A' ' 143' ' ' PHE . 8.3 mt-30 -74.58 -11.12 60.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.913 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -47.65 -77.23 0.11 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.388 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -55.48 -43.91 76.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.817 0.341 . . . . 0.0 110.901 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 4.0 m -40.29 133.6 1.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.832 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -153.12 83.8 0.16 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.512 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 146.92 61.47 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.637 2.224 . . . . 0.0 112.301 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 24.5 p -99.61 139.22 35.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.819 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 34.2 t -92.38 82.99 4.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.831 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.468 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.6 t -91.54 116.18 28.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.87 0.367 . . . . 0.0 110.867 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 t -161.39 118.23 2.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.2 160.02 27.15 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.425 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t -86.67 149.85 24.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.85 0.357 . . . . 0.0 110.895 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.4 p -78.57 -42.76 28.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.797 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.01 -83.97 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.423 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 112.08 2.99 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.601 2.2 . . . . 0.0 112.351 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -77.08 77.19 3.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.825 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -143.87 158.47 43.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.04 -42.79 73.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.071 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.0 p -93.34 174.9 6.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.7 ppt_? -86.33 22.06 1.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? -61.36 154.93 60.84 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.563 0.697 . . . . 0.0 110.871 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.79 169.61 18.56 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.661 2.241 . . . . 0.0 112.379 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.4 Cg_endo -69.78 -29.53 23.62 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.684 2.256 . . . . 0.0 112.33 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 16' ' ' PRO . 12.9 mmm180 -34.41 -66.35 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -84.51 102.37 12.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -144.45 113.31 6.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.839 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.556 ' HB3' ' CD1' ' A' ' 58' ' ' TRP . 68.2 m -112.77 148.77 34.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.438 ' OG ' ' CD2' ' A' ' 102' ' ' TYR . 8.9 p -150.67 152.07 33.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.875 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.444 ' HB3' ' NE2' ' A' ' 65' ' ' GLN . . . -121.72 104.67 9.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.8 t -105.49 148.83 26.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.2 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.4 t -134.18 151.04 51.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.3 t -94.92 131.22 42.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 39.9 tp -115.52 111.0 20.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -121.04 154.0 36.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.462 ' NE2' ' HA ' ' A' ' 114' ' ' PRO . 1.0 OUTLIER -141.56 124.43 9.58 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.625 0.726 . . . . 0.0 110.878 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 118.97 6.0 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.717 2.278 . . . . 0.0 112.331 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -112.26 -145.5 9.74 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.54 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.05 -54.06 5.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.912 0.387 . . . . 0.0 111.151 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.2 mt -60.59 -50.54 73.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.975 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.03 -79.75 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.488 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.92 150.32 15.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.702 0.287 . . . . 0.0 111.175 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.408 ' HG3' ' C ' ' A' ' 125' ' ' LEU . 5.6 tt0 -139.94 138.19 35.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.874 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.9 pt -104.05 174.99 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.0 tp -108.02 151.42 25.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.432 ' CD2' ' HB3' ' A' ' 51' ' ' TRP . 10.2 tp -144.36 120.75 10.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.508 HG12 ' CE2' ' A' ' 76' ' ' TRP . 33.9 m -105.4 146.7 12.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -121.39 121.42 37.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.15 159.28 11.43 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.631 0.729 . . . . 0.0 110.897 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 175.91 7.5 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.668 2.245 . . . . 0.0 112.32 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -79.14 52.3 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 71.8 m -116.41 79.59 1.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 134.27 164.65 10.69 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.548 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 13.0 mt -65.91 -53.97 32.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.809 0.338 . . . . 0.0 110.904 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.5 tt -89.49 40.24 0.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -103.65 166.5 10.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.078 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.65 27.03 59.74 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.41 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.446 ' N ' HD23 ' A' ' 50' ' ' LEU . 4.2 mm? -106.07 136.5 45.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.782 0.325 . . . . 0.0 110.882 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.548 ' CZ3' ' HB3' ' A' ' 123' ' ' ARG . 98.7 m95 -70.13 131.05 43.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.96 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -167.46 161.97 14.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.939 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.667 ' CZ ' ' CE2' ' A' ' 130' ' ' PHE . 14.1 m-85 -66.42 152.37 94.7 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.677 0.751 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.82 142.78 48.6 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.672 2.248 . . . . 0.0 112.267 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.4 p -140.62 159.86 41.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.804 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.4 m -128.24 178.96 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.119 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 37.8 p -65.76 140.6 58.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.556 ' CD1' ' HB3' ' A' ' 20' ' ' SER . 89.7 t90 -64.85 151.34 45.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -140.08 136.86 17.44 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.678 0.752 . . . . 0.0 110.85 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.526 ' HA ' ' CH2' ' A' ' 58' ' ' TRP . 53.0 Cg_endo -69.86 -18.55 36.49 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.647 2.231 . . . . 0.0 112.305 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.8 m -100.74 132.84 45.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.829 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.479 ' OE1' ' N ' ' A' ' 63' ' ' GLN . 0.0 OUTLIER -54.11 -37.38 64.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.479 ' N ' ' OE1' ' A' ' 62' ' ' GLU . 25.8 tt0 -74.34 -65.48 0.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 63' ' ' GLN . 10.0 mp -34.38 -41.17 0.11 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.444 ' NE2' ' HB3' ' A' ' 22' ' ' ALA . 6.2 tp60 -59.73 -49.74 76.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.474 ' CZ ' ' HB2' ' A' ' 66' ' ' ARG . 19.0 mtm105 -69.34 -32.95 72.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.7 mtpp -58.04 -52.56 65.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.79 -40.92 39.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.078 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.0 tp -46.18 -47.71 17.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.923 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 71' ' ' GLN . 74.5 mt -67.18 -49.63 63.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 70' ' ' LEU . 81.2 mt-30 -37.43 -52.62 1.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.976 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 75' ' ' ARG . 13.9 tt0 -61.18 -59.99 4.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 26.7 mt -38.41 -54.93 1.43 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.954 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -49.82 -40.42 41.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 72' ' ' GLU . 12.0 mmm180 -53.96 -30.88 48.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.508 ' CE2' HG12 ' A' ' 39' ' ' VAL . 76.3 m95 -88.3 -71.32 0.59 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -77.26 -72.43 0.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.068 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 152.1 -102.36 0.22 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.469 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.84 110.3 2.54 Favored 'Trans proline' 0 C--O 1.233 0.242 0 C-N-CA 122.71 2.273 . . . . 0.0 112.34 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -121.48 135.55 25.17 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.528 0.68 . . . . 0.0 110.979 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -172.06 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.631 2.221 . . . . 0.0 112.322 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -132.93 -61.74 0.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 11.4 p -60.59 -26.65 67.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.11 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -66.4 -35.24 79.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 30.9 tp -63.42 147.8 50.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.945 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -166.36 147.48 6.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 -81.19 123.84 28.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 34.2 mt -126.69 95.38 4.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.956 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.64 -172.76 27.54 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -150.32 171.13 17.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.891 0.377 . . . . 0.0 110.859 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.447 HG23 ' CG2' ' A' ' 104' ' ' VAL . 51.1 t -141.22 105.04 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 53.8 t -115.56 111.12 34.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.072 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 37.3 t60 -104.48 129.52 52.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 20.8 m -98.42 112.33 24.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.157 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -83.19 -175.55 5.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 37.4 m -49.51 -65.43 0.57 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.853 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -125.96 28.98 5.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.846 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.427 HG21 ' CD2' ' A' ' 100' ' ' LEU . 35.4 mt -143.3 147.79 19.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.128 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.41 ' N ' HG22 ' A' ' 98' ' ' ILE . 29.5 tttm -127.19 112.82 15.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.874 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.476 ' N ' HD21 ' A' ' 100' ' ' LEU . 4.0 mm? -99.26 144.29 28.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.951 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 54.9 m -127.48 109.54 11.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.438 ' CD2' ' OG ' ' A' ' 21' ' ' SER . 51.1 m-85 -108.9 149.52 29.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -113.89 113.33 24.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.447 ' CG2' HG23 ' A' ' 91' ' ' VAL . 66.4 t -72.23 128.72 35.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.066 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -133.23 147.77 51.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -119.28 136.84 12.18 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.424 ' C ' ' CD1' ' A' ' 107' ' ' LEU . 1.5 tm? -156.68 116.49 3.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 0.0 110.898 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -137.89 136.71 37.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.152 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.456 HD13 ' NE2' ' A' ' 28' ' ' GLN . 40.0 mt -76.88 106.63 8.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.935 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 48.2 tp10 -43.01 -41.67 3.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 150.31 56.65 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.456 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -95.69 -70.34 0.72 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.881 0.372 . . . . 0.0 110.865 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 22.1 p -151.93 135.11 9.21 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.547 0.689 . . . . 0.0 111.115 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.462 ' HA ' ' NE2' ' A' ' 28' ' ' GLN . 53.3 Cg_endo -69.81 166.92 26.02 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.68 2.253 . . . . 0.0 112.332 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 116' ' ' THR . 11.3 p -98.58 -41.68 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 115' ' ' VAL . 44.8 p 35.46 35.71 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.405 ' N ' ' O ' ' A' ' 115' ' ' VAL . 89.2 m -160.67 123.51 3.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.148 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.473 ' CG2' ' HD2' ' A' ' 119' ' ' PRO . 7.5 p -145.85 138.14 13.57 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.638 0.732 . . . . 0.0 111.136 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 118' ' ' VAL . 53.0 Cg_endo -69.79 169.25 19.39 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.623 2.215 . . . . 0.0 112.302 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 110.56 2.57 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.759 2.306 . . . . 0.0 112.315 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 132.9 -22.14 4.09 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.486 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -103.04 141.54 35.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.774 0.321 . . . . 0.0 111.055 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.548 ' HB3' ' CZ3' ' A' ' 51' ' ' TRP . 13.6 ttm180 -123.34 143.36 50.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 27.5 m95 -109.19 103.36 12.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.938 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.408 ' C ' ' HG3' ' A' ' 35' ' ' GLN . 1.1 pp -125.13 169.89 11.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 17.9 p -82.67 171.9 13.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 13.2 mp0 -58.53 -46.55 86.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.938 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -62.6 -46.62 87.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -58.53 -28.98 65.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.865 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.667 ' CE2' ' CZ ' ' A' ' 53' ' ' PHE . 4.5 t80 -69.05 -45.5 70.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -50.44 -56.23 12.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 80.6 p -64.49 -43.58 93.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.181 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -45.25 147.77 0.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.113 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.64 100.72 0.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 3.1 t -130.85 143.17 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.117 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 17.5 m -67.99 154.06 42.42 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 32.7 m -47.69 -57.46 5.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -50.13 -63.03 1.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 35.7 mmm -48.4 -46.78 37.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -55.24 -30.02 59.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.435 ' CB ' HG21 ' A' ' 91' ' ' VAL . 52.5 mttt -75.15 -36.07 61.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.91 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 49.3 t -52.61 -25.29 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -79.69 -67.4 0.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.429 ' NH1' ' HB3' ' A' ' 144' ' ' ARG . 1.3 ptp180 -43.77 -36.85 2.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 71.4 t -67.19 -46.51 84.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -60.5 -45.02 95.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' ' 148' ' ' GLY . 11.9 mm100 -55.12 -54.28 45.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 147' ' ' GLN . . . -34.72 -58.36 0.73 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.456 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -84.89 92.93 8.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.844 0.354 . . . . 0.0 110.905 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 2.9 m -159.91 155.4 25.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -63.31 -178.91 4.82 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.507 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . 0.457 ' O ' ' C ' ' A' ' 153' ' ' SER . 54.0 Cg_endo -69.76 2.89 3.13 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.676 2.251 . . . . 0.0 112.335 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 152' ' ' PRO . 7.4 t -34.01 125.36 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.4 t -41.98 163.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.561 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.5 m 52.07 39.02 25.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 110.868 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 t -107.23 170.37 8.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.61 136.84 2.21 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.471 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.9 t -93.31 147.64 22.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.96 0.41 . . . . 0.0 110.789 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -112.21 141.46 45.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.851 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.41 111.24 0.54 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.517 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -9.77 26.92 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.706 2.271 . . . . 0.0 112.342 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.3 mtm180 -112.31 -49.83 2.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.12 -48.54 79.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.915 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.24 158.39 21.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.108 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.0 t -80.95 46.9 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -112.53 160.38 17.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.862 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -39.55 156.71 0.14 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.614 0.721 . . . . 0.0 110.838 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.86 168.98 20.13 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.634 2.223 . . . . 0.0 112.338 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.7 Cg_endo -69.76 -30.16 22.72 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.595 2.197 . . . . 0.0 112.375 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 16' ' ' PRO . 85.9 mtt180 -36.29 -57.04 0.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -101.61 100.41 10.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -141.9 113.49 7.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.3 m -118.38 136.13 53.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.784 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.8 m -149.21 151.25 33.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.864 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.412 ' CB ' ' OE1' ' A' ' 65' ' ' GLN . . . -115.57 106.92 14.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.168 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.8 t -100.37 149.27 23.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.412 ' HG ' ' N ' ' A' ' 25' ' ' VAL . 10.0 t -132.64 146.32 51.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.412 ' N ' ' HG ' ' A' ' 24' ' ' CYS . 68.9 t -100.86 117.9 46.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 tp -102.49 124.2 47.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -131.46 146.08 52.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.415 ' OE1' ' CD1' ' A' ' 109' ' ' LEU . 11.3 tt0 -144.11 136.05 13.06 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.57 0.7 . . . . 0.0 110.945 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 125.19 11.84 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.714 2.276 . . . . 0.0 112.29 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -118.71 -139.67 6.15 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.508 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.27 -58.46 3.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.863 0.363 . . . . 0.0 111.132 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.8 mt -56.19 -50.9 69.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.974 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.4 -53.68 0.15 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -162.82 152.92 16.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.7 0.286 . . . . 0.0 111.105 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -149.23 140.12 22.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.7 pt -103.29 175.74 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.9 tp -110.41 134.27 52.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.937 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.7 tp -131.62 122.73 26.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.505 HG11 ' CD2' ' A' ' 76' ' ' TRP . 34.2 m -111.37 146.44 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.21 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -99.5 163.25 12.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.946 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 -115.06 157.89 42.3 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.641 0.734 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -176.13 1.38 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.679 2.252 . . . . 0.0 112.336 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -78.6 57.68 2.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.1 t -51.55 -65.71 0.51 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.797 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -145.47 -130.97 2.27 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.526 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.4 mt -77.62 -57.45 3.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.905 0.383 . . . . 0.0 110.918 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.4 tp -80.06 45.82 0.76 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.436 ' O ' ' CD2' ' A' ' 50' ' ' LEU . . . -105.99 177.47 4.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.094 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.53 35.66 87.01 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.436 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.436 ' CD2' ' O ' ' A' ' 48' ' ' ALA . 4.4 mm? -114.14 148.57 37.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.832 0.348 . . . . 0.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 86.4 m95 -88.67 125.89 35.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -155.33 154.78 32.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.753 ' CZ ' ' CE1' ' A' ' 130' ' ' PHE . 16.2 m-85 -56.52 151.7 28.49 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.618 0.723 . . . . 0.0 110.928 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 142.68 48.94 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.717 2.278 . . . . 0.0 112.376 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.5 p -146.31 163.63 34.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.1 m -126.38 177.15 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.104 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.6 t -67.76 150.65 48.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.459 ' CG ' ' N ' ' A' ' 59' ' ' GLU . 75.4 t90 -58.92 168.02 1.41 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.897 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.459 ' N ' ' CG ' ' A' ' 58' ' ' TRP . 5.2 mm-40 -154.37 134.56 8.07 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.698 0.761 . . . . 0.0 110.803 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -22.41 32.18 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.667 2.244 . . . . 0.0 112.347 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.2 t -103.37 131.92 50.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -56.02 -28.2 56.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -80.24 -62.25 1.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.414 ' N ' ' CD1' ' A' ' 64' ' ' LEU . 1.9 mp -40.78 -37.3 0.74 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.425 ' HA ' ' NE2' ' A' ' 65' ' ' GLN . 2.3 tp-100 -60.47 -54.9 39.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.86 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 40.2 mtt180 -65.88 -39.35 90.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.817 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 32.1 mtpt -53.41 -54.86 30.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.41 ' HA ' ' NE2' ' A' ' 71' ' ' GLN . . . -74.92 -32.74 61.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.118 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 38.7 tp -53.68 -53.71 48.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 89.4 mt -63.42 -46.45 86.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.41 ' NE2' ' HA ' ' A' ' 68' ' ' ALA . 57.8 mt-30 -38.39 -40.73 0.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -70.86 -58.09 3.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.918 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 29.9 mt -41.58 -52.12 3.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -50.28 -38.15 39.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 60.4 mtt-85 -58.31 -29.91 66.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.505 ' CD2' HG11 ' A' ' 39' ' ' VAL . 75.9 m95 -88.85 -70.23 0.66 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -82.04 -72.76 0.42 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 155.82 -102.6 0.22 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.486 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 118.89 5.95 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.667 2.245 . . . . 0.0 112.393 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -126.42 135.22 26.89 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.637 0.732 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.47 ' CG ' HD13 ' A' ' 107' ' ' LEU . 52.9 Cg_endo -69.81 171.92 13.64 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.672 2.248 . . . . 0.0 112.337 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -117.45 -58.99 1.98 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.067 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 51.5 p -63.18 -31.45 72.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.151 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -57.34 -40.99 79.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.7 tp -56.64 137.94 53.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 -157.0 139.15 14.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.83 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 105' ' ' TYR . 18.5 t-80 -75.86 120.03 20.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 17.9 mt -123.66 93.96 4.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.25 -170.86 29.48 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.466 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.13 171.25 16.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.945 0.403 . . . . 0.0 110.838 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 13.8 t -139.94 105.05 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.095 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.1 t -115.51 103.82 15.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.718 ' CD2' ' CE1' ' A' ' 95' ' ' PHE . 12.3 t60 -99.2 126.69 45.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.4 p -93.98 113.25 25.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.718 ' CE1' ' CD2' ' A' ' 93' ' ' HIS . 57.3 m-85 -102.54 -178.33 3.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.487 ' O ' ' CG ' ' A' ' 97' ' ' HIS . 45.3 m -47.65 107.86 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.487 ' CG ' ' O ' ' A' ' 96' ' ' SER . 19.5 p-80 44.02 36.61 1.49 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.468 HG23 ' CD2' ' A' ' 100' ' ' LEU . 23.9 mt -143.28 142.98 25.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.065 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.453 ' N ' HG21 ' A' ' 98' ' ' ILE . 34.1 tttt -127.59 112.36 14.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.468 ' CD2' HG23 ' A' ' 98' ' ' ILE . 4.3 mm? -98.76 142.26 30.53 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 20.5 m -122.4 97.79 5.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.188 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -101.96 131.84 48.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.982 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 -99.67 113.42 25.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 59.0 t -73.69 125.21 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.161 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.57 ' CE1' ' HB2' ' A' ' 87' ' ' HIS . 27.9 m-85 -136.74 120.11 16.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.939 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -92.74 143.62 16.6 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.534 ' C ' ' CD1' ' A' ' 107' ' ' LEU . 0.4 OUTLIER -154.82 114.62 3.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.769 0.319 . . . . 0.0 110.903 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.468 ' N ' HD11 ' A' ' 107' ' ' LEU . . . -127.43 146.6 50.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.169 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.415 ' CD1' ' OE1' ' A' ' 28' ' ' GLN . 71.7 mt -92.68 115.45 28.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -63.23 -46.78 85.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 163.53 45.59 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.51 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -84.06 -71.76 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.847 0.356 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 22.6 p -151.36 128.73 5.61 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.614 0.721 . . . . 0.0 111.11 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -178.85 2.53 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.649 2.233 . . . . 0.0 112.315 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.404 ' CG2' ' O ' ' A' ' 117' ' ' THR . 7.1 p -120.53 -44.89 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.179 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 33.9 p 38.25 33.21 0.06 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.404 ' O ' ' CG2' ' A' ' 115' ' ' VAL . 4.3 t -165.33 148.82 8.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.437 ' CG2' ' HD2' ' A' ' 119' ' ' PRO . 6.4 p -157.26 137.5 8.91 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.644 0.735 . . . . 0.0 111.11 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.437 ' HD2' ' CG2' ' A' ' 118' ' ' VAL . 53.6 Cg_endo -69.74 169.17 19.5 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.662 2.241 . . . . 0.0 112.356 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.87 112.91 3.22 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.617 2.211 . . . . 0.0 112.362 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 128.23 -9.36 6.62 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.53 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.407 ' HB1' ' CG2' ' A' ' 118' ' ' VAL . . . -118.45 156.61 28.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.805 0.336 . . . . 0.0 111.116 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -140.99 144.87 35.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 28.9 m95 -109.95 111.44 22.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.427 HD11 ' C ' ' A' ' 125' ' ' LEU . 1.9 pp -127.69 169.9 13.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.8 p -82.2 158.42 23.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -49.61 -35.35 20.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -70.73 -51.86 24.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -50.35 -46.46 55.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.753 ' CE1' ' CZ ' ' A' ' 53' ' ' PHE . 11.7 t80 -46.15 -60.5 2.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 130' ' ' PHE . 4.4 m-70 -37.99 -63.83 0.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 70.9 p -57.59 -42.8 83.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -45.84 152.91 0.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.098 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.403 ' C ' HG22 ' A' ' 135' ' ' VAL . . . -69.48 101.45 1.59 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.066 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.403 HG22 ' C ' ' A' ' 134' ' ' ALA . 5.0 t -131.62 147.35 32.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 41.5 t -71.95 146.05 48.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 96.3 m -39.32 -65.92 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.171 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -38.21 -72.0 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.081 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' MET . . . . . 0.404 ' O ' ' N ' ' A' ' 142' ' ' VAL . 42.1 mmm -41.1 -58.42 1.77 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.91 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? -44.35 -35.03 2.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.948 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -72.85 -35.2 67.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.404 ' N ' ' O ' ' A' ' 139' ' ' MET . 24.2 t -55.85 -19.72 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -76.6 -66.68 0.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 33.4 ptt85 -45.89 -28.82 1.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 86.4 t -78.1 -36.76 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.136 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -72.54 -32.13 65.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -51.73 -62.59 1.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -81.14 116.13 4.15 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.484 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' A' ' 150' ' ' SER . 7.7 pt20 -116.47 79.08 1.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.803 0.335 . . . . 0.0 110.876 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 149' ' ' GLN . 10.4 t 35.22 41.52 0.08 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.8 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -171.56 73.78 0.1 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.508 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 151.93 69.1 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.701 2.267 . . . . 0.0 112.38 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 6.1 t -97.86 125.34 42.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.794 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 91.9 p -53.03 135.7 36.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.465 -179.982 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.247 0 N-CA-C 112.425 -0.27 . . . . 0.0 112.425 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.6 p -99.55 134.9 41.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.937 0.399 . . . . 0.0 110.85 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -38.77 -50.45 1.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.793 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.06 68.96 1.44 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.517 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.0 m -95.15 161.9 13.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.885 0.374 . . . . 0.0 110.831 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -118.51 174.11 6.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.86 145.87 5.29 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.496 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.81 2.85 3.19 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.714 2.276 . . . . 0.0 112.351 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.0 ttp85 -93.2 90.56 6.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 35.3 tttp -120.25 84.87 2.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 48.11 40.19 13.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.104 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.9 m 47.71 40.24 11.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.807 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -73.42 -40.62 64.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.811 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.0 mttm -165.64 162.82 13.11 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.568 0.699 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 165.47 30.88 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.742 2.295 . . . . 0.0 112.282 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 17' ' ' ARG . 54.1 Cg_endo -69.81 -28.43 25.0 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.697 2.265 . . . . 0.0 112.321 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 16' ' ' PRO . 52.6 mtt180 -38.21 -62.63 0.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -83.06 100.23 10.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -146.68 113.48 6.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.456 ' HB2' ' CB ' ' A' ' 58' ' ' TRP . 25.5 m -117.98 146.87 43.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.7 m -151.81 153.05 33.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.836 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.499 ' CB ' ' CD ' ' A' ' 65' ' ' GLN . . . -117.42 108.23 15.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.122 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.0 t -104.91 146.26 29.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.2 t -127.03 161.92 27.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.828 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 95.4 t -115.12 111.08 34.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.101 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 38.6 tp -96.4 117.73 31.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.927 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -123.7 144.8 49.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.428 ' CD ' HD11 ' A' ' 109' ' ' LEU . 0.8 OUTLIER -127.31 128.96 23.98 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.647 0.736 . . . . 0.0 110.863 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 119.31 6.28 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.685 2.256 . . . . 0.0 112.358 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -125.64 -173.06 13.55 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.459 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.44 -54.9 40.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.84 0.352 . . . . 0.0 111.096 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 34.0 mt -52.93 -50.18 64.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.06 -66.59 0.15 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -170.1 135.39 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.746 0.307 . . . . 0.0 111.065 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -125.95 141.79 51.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.856 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 8.2 pt -105.71 173.91 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.119 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 42.6 tp -108.76 137.62 46.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.456 HD13 ' CD1' ' A' ' 53' ' ' PHE . 9.8 tp -133.44 124.89 27.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.43 HG13 ' CD2' ' A' ' 76' ' ' TRP . 24.2 m -112.06 137.28 45.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -76.36 152.67 36.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.907 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 -82.58 156.85 68.02 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.611 0.719 . . . . 0.0 110.859 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 153.87 68.46 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.661 2.24 . . . . 0.0 112.4 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -77.18 171.85 14.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.853 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.2 m 57.3 42.98 24.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -160.73 168.55 36.19 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.524 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.3 mt -43.48 136.53 3.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.893 0.378 . . . . 0.0 110.94 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.0 mp 44.82 48.95 9.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.35 121.33 15.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.08 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.42 42.43 3.96 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.48 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -132.28 142.22 49.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 0.0 110.852 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.415 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 83.1 m95 -81.41 146.0 30.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.413 ' C ' HD11 ' A' ' 38' ' ' LEU . 3.2 pt-20 -174.22 160.14 3.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.696 ' CZ ' ' CE1' ' A' ' 130' ' ' PHE . 22.0 m-85 -68.7 149.42 97.95 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.655 0.74 . . . . 0.0 110.86 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 143.31 50.33 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.673 2.249 . . . . 0.0 112.33 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 99.0 p -143.69 165.44 27.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.85 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 18.2 m -128.13 178.36 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.169 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.8 p -65.41 149.36 50.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.167 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.456 ' CB ' ' HB2' ' A' ' 20' ' ' SER . 88.9 t90 -68.62 147.1 52.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.861 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -132.92 134.87 25.02 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.6 0.714 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 -23.47 31.15 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.639 2.226 . . . . 0.0 112.387 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.1 t -100.54 130.69 46.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.441 ' HG2' ' N ' ' A' ' 63' ' ' GLN . 0.3 OUTLIER -50.93 -36.58 39.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.475 ' O ' ' N ' ' A' ' 66' ' ' ARG . 7.3 tp60 -72.39 -67.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 63' ' ' GLN . 6.8 mp -34.25 -42.48 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.499 ' CD ' ' CB ' ' A' ' 22' ' ' ALA . 3.7 tp-100 -58.36 -48.76 79.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 63' ' ' GLN . 20.1 mtt180 -71.46 -39.64 70.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.7 mttm -55.42 -46.21 76.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.84 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -82.59 -36.61 26.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 50.4 tp -46.82 -51.94 15.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.912 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 76.6 mt -68.82 -43.95 74.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -41.15 -45.8 2.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -71.0 -60.53 2.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.9 mt -38.22 -55.28 1.33 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -46.13 -43.22 14.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.962 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -51.12 -32.75 23.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.85 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.43 ' CD2' HG13 ' A' ' 39' ' ' VAL . 93.0 m95 -86.09 -75.09 0.39 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.471 ' CA ' HG22 ' A' ' 115' ' ' VAL . . . -72.81 -71.62 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.075 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 150.06 -100.61 0.21 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.486 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 109.23 2.27 Favored 'Trans proline' 0 C--O 1.233 0.251 0 C-N-CA 122.688 2.259 . . . . 0.0 112.36 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -123.18 126.45 25.94 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.659 0.742 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 163.01 39.83 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.662 2.242 . . . . 0.0 112.389 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -102.97 -66.97 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.081 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 84' ' ' HIS . 90.1 m -45.67 -56.71 4.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.443 ' C ' ' O ' ' A' ' 83' ' ' THR . 18.6 m170 -34.06 -57.05 0.48 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 63.5 tp -39.06 135.97 0.86 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.0 mtp85 -157.62 130.29 7.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.417 ' HB2' ' CE1' ' A' ' 105' ' ' TYR . 19.2 t-80 -69.97 123.3 21.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 29.6 mt -128.27 97.85 4.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 65.81 -173.49 22.1 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.456 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -147.98 171.04 16.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.861 0.362 . . . . 0.0 110.856 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.469 HG23 ' CG2' ' A' ' 104' ' ' VAL . 74.0 t -141.56 106.56 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.158 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 93.5 t -120.8 107.58 20.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.554 ' CD2' ' CE1' ' A' ' 95' ' ' PHE . 49.2 t60 -99.06 117.25 33.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 24.7 m -82.44 128.69 34.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.166 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.554 ' CE1' ' CD2' ' A' ' 93' ' ' HIS . 44.7 m-85 -105.28 174.79 5.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 34.6 m -46.68 -68.91 0.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -119.72 27.13 8.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 56.9 mt -143.35 152.92 16.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 50.7 tttt -135.06 113.03 11.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -99.75 139.04 36.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 99.1 m -127.12 99.75 5.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.158 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -98.55 147.5 24.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -109.62 116.18 31.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.469 ' CG2' HG23 ' A' ' 91' ' ' VAL . 84.7 t -72.78 124.4 29.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.176 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.417 ' CE1' ' HB2' ' A' ' 87' ' ' HIS . 28.5 m-85 -132.33 130.4 40.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -103.72 140.64 14.99 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.491 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -155.95 106.41 2.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.813 0.339 . . . . 0.0 110.909 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -126.03 141.41 51.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.086 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.428 HD11 ' CD ' ' A' ' 28' ' ' GLN . 78.6 mt -80.03 104.29 10.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.956 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -64.74 -57.26 9.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -155.03 44.73 0.55 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.479 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -100.15 -175.11 2.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.859 0.361 . . . . 0.0 110.866 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 74.9 p -74.38 143.49 79.72 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.596 0.712 . . . . 0.0 111.12 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 165.9 29.47 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.716 2.277 . . . . 0.0 112.35 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.471 HG22 ' CA ' ' A' ' 77' ' ' ALA . 7.2 p -98.79 -40.55 9.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.155 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 115' ' ' VAL . 30.0 p 35.33 36.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.431 HG22 ' N ' ' A' ' 118' ' ' VAL . 90.1 m -152.56 143.05 22.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.219 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.431 ' N ' HG22 ' A' ' 117' ' ' THR . 14.3 p -168.6 134.17 1.47 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.649 0.738 . . . . 0.0 111.149 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 170.05 17.57 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.655 2.237 . . . . 0.0 112.327 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 3.26 2.86 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.752 2.302 . . . . 0.0 112.378 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -115.45 20.31 13.87 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.486 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -142.61 160.54 40.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.747 0.308 . . . . 0.0 111.114 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -144.51 138.81 27.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 33.7 m95 -106.11 107.49 18.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.947 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.7 pp -124.72 170.24 11.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 34.2 p -77.62 174.0 11.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.128 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -62.94 -45.75 90.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -63.21 -63.82 1.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -37.98 -44.11 0.77 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.878 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.696 ' CE1' ' CZ ' ' A' ' 53' ' ' PHE . 19.6 t80 -49.54 -58.54 5.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.951 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . 0.427 ' C ' ' O ' ' A' ' 130' ' ' PHE . 21.0 m-70 -35.74 -58.24 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.89 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 48.8 p -60.59 -43.48 97.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.162 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -44.75 130.03 7.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.096 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -54.78 102.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.084 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.427 ' HB ' ' CG ' ' A' ' 140' ' ' LYS . 11.3 t -132.62 145.76 33.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.074 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 8.2 t -65.07 144.64 57.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.879 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 99.7 m -40.57 -63.73 0.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.152 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -42.58 -65.64 0.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.079 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 40.9 mmm -46.61 -51.81 14.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . 0.427 ' CG ' ' HB ' ' A' ' 135' ' ' VAL . 17.5 mtpt -51.12 -34.9 32.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.418 ' HA ' ' CD ' ' A' ' 144' ' ' ARG . 18.8 mtpp -73.54 -34.3 65.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 79.2 t -51.91 -29.73 11.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.163 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.461 ' O ' ' N ' ' A' ' 146' ' ' TYR . 64.8 t80 -75.08 -66.9 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.43 ' NH1' ' HB3' ' A' ' 144' ' ' ARG . 1.2 ptp180 -41.57 -42.12 2.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.821 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 58.0 t -64.69 -34.88 72.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . 0.461 ' N ' ' O ' ' A' ' 143' ' ' PHE . 2.2 t80 -71.61 -52.91 15.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . 0.433 ' O ' ' C ' ' A' ' 148' ' ' GLY . 7.1 mm-40 -45.03 -41.84 7.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.942 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 147' ' ' GLN . . . -34.44 -41.82 0.26 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.424 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 28.4 mp0 -121.45 95.68 4.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.803 0.335 . . . . 0.0 110.877 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 3.6 m -151.57 125.83 9.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -171.0 101.23 0.16 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.8 2.13 3.83 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.753 2.302 . . . . 0.0 112.329 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 31.9 t -44.05 158.05 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 40.0 m -72.78 155.12 40.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.514 179.968 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.9 p -136.55 167.8 20.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.823 0.344 . . . . 0.0 110.855 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -120.03 131.27 55.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.86 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.49 112.7 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.535 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.9 t -169.04 120.85 0.76 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.936 0.398 . . . . 0.0 110.83 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.7 p -107.24 82.33 1.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.6 -102.42 1.79 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.507 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.74 -175.91 1.31 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.661 2.24 . . . . 0.0 112.379 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.6 tpp180 -84.43 153.23 23.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -90.52 -47.76 7.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -45.91 -42.27 12.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.6 p -66.51 -40.77 89.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.8 mtm180 62.14 38.05 14.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp -127.18 156.91 73.85 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.569 0.699 . . . . 0.0 110.959 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 163.06 39.72 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.64 2.227 . . . . 0.0 112.401 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.4 Cg_endo -69.8 -43.09 2.83 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.653 2.236 . . . . 0.0 112.31 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 16' ' ' PRO . 11.1 mmt85 -34.31 -68.05 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.942 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -80.58 100.32 8.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -143.5 113.56 7.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.816 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.0 m -125.59 146.26 49.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.9 m -153.46 157.4 39.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.469 ' HB1' ' NE2' ' A' ' 65' ' ' GLN . . . -112.88 115.02 27.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.092 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.0 t -110.82 145.56 37.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 45.8 t -130.19 158.06 40.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.1 t -108.18 122.53 62.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.077 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.9 tp -106.22 116.57 32.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.835 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -125.37 139.33 53.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -130.18 121.97 19.9 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.602 0.715 . . . . 0.0 110.902 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 127.29 14.38 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.638 2.225 . . . . 0.0 112.407 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -122.19 -166.88 12.91 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.47 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.2 -44.22 97.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.781 0.324 . . . . 0.0 111.07 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.2 mt -70.52 -42.39 71.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.07 -96.59 0.11 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.491 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -164.64 119.56 1.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.686 0.279 . . . . 0.0 111.107 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -112.08 164.2 13.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.9 pt -109.68 176.53 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.168 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.7 tp -109.45 142.95 39.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.979 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.1 tp -137.41 129.48 29.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.6 m -114.34 147.19 17.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.097 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -103.13 173.46 6.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.97 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.5 mmt85 -107.37 156.7 37.23 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.593 0.711 . . . . 0.0 110.82 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -176.33 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.672 2.248 . . . . 0.0 112.365 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 69.0 m-20 -86.04 83.46 7.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.1 m -174.01 149.5 1.49 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.427 ' C ' HD23 ' A' ' 46' ' ' LEU . . . 94.47 -158.82 23.0 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.428 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.496 ' CD2' ' N ' ' A' ' 46' ' ' LEU . 0.2 OUTLIER -109.61 -44.51 3.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.875 0.369 . . . . 0.0 110.979 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.9 mt -94.9 44.74 1.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.945 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -89.0 163.73 15.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.4 26.81 58.71 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.516 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -115.69 158.43 22.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.82 0.343 . . . . 0.0 110.919 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.496 ' CE3' ' CD ' ' A' ' 123' ' ' ARG . 86.4 m95 -110.41 113.29 25.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.462 ' CB ' ' HG3' ' A' ' 139' ' ' MET . 2.6 pm0 -138.24 176.39 8.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.837 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.527 ' CZ ' ' CE2' ' A' ' 130' ' ' PHE . 12.8 m-85 -75.51 150.58 84.72 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.638 0.733 . . . . 0.0 110.871 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 143.06 49.84 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.718 2.278 . . . . 0.0 112.365 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 89.4 p -146.61 159.99 42.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.483 ' CG1' ' CB ' ' A' ' 72' ' ' GLU . 10.3 m -124.02 179.63 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.106 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 29.6 p -64.83 136.41 56.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.491 ' CG ' ' N ' ' A' ' 59' ' ' GLU . 78.7 t90 -56.86 169.29 0.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.92 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.491 ' N ' ' CG ' ' A' ' 58' ' ' TRP . 7.5 mm-40 -152.61 135.69 9.5 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.649 0.738 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.488 ' HA ' ' CH2' ' A' ' 58' ' ' TRP . 53.5 Cg_endo -69.71 -19.89 35.77 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.682 2.255 . . . . 0.0 112.344 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -96.67 154.36 17.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.846 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -75.48 -27.75 58.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 43.6 tp60 -85.86 -57.43 3.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.9 mp -42.9 -39.48 2.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.469 ' NE2' ' HB1' ' A' ' 22' ' ' ALA . 18.7 tp60 -54.3 -51.21 65.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 55.1 mtt180 -70.05 -43.68 70.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -43.08 -49.16 6.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 70' ' ' LEU . . . -81.76 -53.17 6.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.109 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 68' ' ' ALA . 59.3 tp -34.3 -34.72 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 68' ' ' ALA . 68.1 mt -86.94 -49.89 7.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -41.03 -34.62 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.483 ' CB ' ' CG1' ' A' ' 56' ' ' VAL . 2.6 tp10 -77.64 -57.49 3.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 18.0 mt -39.74 -49.09 2.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -51.62 -47.79 63.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 31.7 mtp180 -49.19 -27.1 3.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 90.1 m95 -90.37 -72.91 0.55 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -79.05 -70.04 0.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.099 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 155.21 -104.87 0.26 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.507 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 119.6 6.52 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.644 2.23 . . . . 0.0 112.418 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -127.35 131.3 23.77 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.579 0.704 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 179.21 3.83 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.7 2.266 . . . . 0.0 112.347 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -124.97 -61.21 1.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 40.9 p -54.0 -49.53 68.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 30.6 m170 -46.98 -47.74 21.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 47.4 tp -44.45 134.16 5.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.955 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 56.0 mtt180 -156.44 133.36 10.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.563 ' HB2' ' CE1' ' A' ' 105' ' ' TYR . 22.1 t-80 -73.45 125.91 28.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 21.6 mt -128.04 95.11 4.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.954 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.429 ' O ' ' NE2' ' A' ' 87' ' ' HIS . . . 70.65 -174.95 38.31 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.453 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -147.76 168.75 21.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.848 0.356 . . . . 0.0 110.93 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.468 HG22 ' CG2' ' A' ' 104' ' ' VAL . 76.2 t -137.35 106.1 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.189 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.2 t -119.05 103.08 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.079 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 21.1 t60 -98.58 111.09 23.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 27.8 m -82.49 109.73 16.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -81.44 -175.93 5.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.8 m -54.47 -67.02 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -119.43 25.8 9.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.442 HG22 ' CD2' ' A' ' 100' ' ' LEU . 46.6 mt -142.28 147.83 20.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.107 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 51.5 tttt -127.23 110.0 12.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.442 ' CD2' HG22 ' A' ' 98' ' ' ILE . 3.7 mm? -98.29 140.04 33.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.95 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 91.0 m -128.85 102.8 6.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.163 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -103.33 147.68 26.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.97 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -109.93 113.14 25.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.468 ' CG2' HG22 ' A' ' 91' ' ' VAL . 60.8 t -71.63 124.32 27.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.563 ' CE1' ' HB2' ' A' ' 87' ' ' HIS . 24.1 m-85 -131.08 138.54 49.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.944 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -107.47 142.69 15.84 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.517 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.416 HD13 ' N ' ' A' ' 108' ' ' ALA . 1.7 tm? -161.69 125.81 3.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.835 0.35 . . . . 0.0 110.847 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.416 ' N ' HD13 ' A' ' 107' ' ' LEU . . . -145.21 158.25 43.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.177 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 87.3 mt -96.36 120.0 35.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 111' ' ' GLY . 6.4 pt-20 -68.6 -35.0 76.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.404 ' N ' ' HG3' ' A' ' 110' ' ' GLU . . . 146.91 70.26 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.536 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 -115.84 -73.13 0.66 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.908 0.385 . . . . 0.0 110.883 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 23.0 p -148.47 137.91 12.35 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.558 0.694 . . . . 0.0 111.14 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.7 170.72 15.84 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.742 2.295 . . . . 0.0 112.412 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.48 ' O ' ' N ' ' A' ' 117' ' ' THR . 7.7 p -100.84 -39.82 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.449 ' C ' ' O ' ' A' ' 115' ' ' VAL . 25.5 p 33.83 34.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.159 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.48 ' N ' ' O ' ' A' ' 115' ' ' VAL . 18.4 m -155.38 129.76 8.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.462 ' CG2' ' HD2' ' A' ' 119' ' ' PRO . 8.4 p -164.93 137.44 3.59 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.584 0.707 . . . . 0.0 111.114 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.462 ' HD2' ' CG2' ' A' ' 118' ' ' VAL . 53.6 Cg_endo -69.76 164.26 35.22 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.644 2.229 . . . . 0.0 112.346 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 2.77 3.21 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.67 2.247 . . . . 0.0 112.374 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -107.72 22.31 28.41 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.468 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.454 ' HB2' ' CG2' ' A' ' 118' ' ' VAL . . . -146.06 173.07 12.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.777 0.323 . . . . 0.0 111.113 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.496 ' CD ' ' CE3' ' A' ' 51' ' ' TRP . 14.0 ptm180 -155.14 139.23 16.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 33.8 m95 -103.33 103.58 13.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.3 pp -121.57 167.88 12.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 7.9 p -79.45 163.92 24.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.159 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -53.95 -42.74 69.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -65.63 -54.24 30.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.909 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -47.3 -34.41 6.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.928 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.527 ' CE2' ' CZ ' ' A' ' 53' ' ' PHE . 4.0 t80 -64.73 -56.79 11.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 130' ' ' PHE . 8.4 m-70 -37.56 -54.02 1.17 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 74.9 p -69.75 -46.22 66.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -39.37 144.77 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.162 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.56 104.81 1.07 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.104 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 2.6 t -132.82 149.42 31.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.183 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 36.1 m -67.96 151.19 47.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.82 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 97.8 m -46.81 -55.6 7.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.134 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -50.82 -66.35 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.158 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' MET . . . . . 0.462 ' HG3' ' CB ' ' A' ' 52' ' ' GLU . 38.0 mmm -46.32 -47.97 18.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.947 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 14.6 mtpt -50.4 -34.83 25.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.872 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 19.7 mttp -74.42 -34.41 63.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 35.7 t -54.81 -16.77 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.14 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.56 ' CE1' ' HG3' ' A' ' 147' ' ' GLN . 46.2 t80 -91.65 -69.38 0.74 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.0 -33.31 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.819 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 77.9 t -75.26 -41.25 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.077 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . 0.445 ' N ' ' O ' ' A' ' 143' ' ' PHE . 2.0 t80 -69.49 -32.47 71.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.944 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . 0.56 ' HG3' ' CE1' ' A' ' 143' ' ' PHE . 37.9 mm-40 -56.79 -51.97 66.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 147' ' ' GLN . . . -34.18 -39.3 0.13 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.459 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 23.5 mp0 -114.54 105.64 13.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.753 0.311 . . . . 0.0 110.9 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 30.8 t -162.59 119.22 1.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -98.43 111.81 4.32 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.465 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -48.01 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.716 2.278 . . . . 0.0 112.301 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 23.0 m -115.68 -55.66 2.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.902 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 58.2 m -86.77 94.86 9.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.515 -179.943 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.451 -0.259 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.9 p -68.98 97.56 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.901 0.382 . . . . 0.0 110.876 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.5 m -79.56 101.38 8.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.933 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.12 65.03 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.448 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 t -66.19 138.83 57.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.847 0.356 . . . . 0.0 110.863 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -113.47 -54.81 2.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.864 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.52 -148.2 23.19 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.484 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -37.98 8.59 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.737 2.291 . . . . 0.0 112.407 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.8 mmt85 -143.99 153.58 42.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.412 ' HE2' ' C ' ' A' ' 10' ' ' LYS . 0.2 OUTLIER -38.77 -71.46 0.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.83 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.81 116.03 18.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.063 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.9 m -74.55 78.54 1.96 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.3 mmm180 -96.72 -50.58 4.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -139.32 153.07 70.64 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.529 0.68 . . . . 0.0 110.923 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 167.14 25.31 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.711 2.274 . . . . 0.0 112.27 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.5 Cg_endo -69.87 -28.52 24.63 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.596 2.198 . . . . 0.0 112.344 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 16' ' ' PRO . 40.6 mtp180 -37.29 -60.76 0.64 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -87.32 100.3 12.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.802 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -144.04 113.6 7.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.5 m -121.5 143.5 49.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.4 m -147.77 154.5 40.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.498 ' CB ' ' OE1' ' A' ' 65' ' ' GLN . . . -116.45 111.55 20.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.067 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.5 t -108.25 145.61 34.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.196 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 34.2 t -128.28 160.14 33.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 96.6 t -114.52 107.68 23.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.163 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.459 HD21 ' CZ2' ' A' ' 124' ' ' TRP . 26.2 tp -91.55 126.92 36.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.872 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -147.23 157.88 43.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -146.8 151.02 41.21 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.59 0.71 . . . . 0.0 110.92 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 119.81 6.7 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.658 2.239 . . . . 0.0 112.362 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -111.11 -150.75 11.99 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.548 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.68 -57.73 2.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.869 0.366 . . . . 0.0 111.114 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.2 mt -65.61 -44.7 85.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.91 -76.67 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.454 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -170.68 142.59 2.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.66 0.267 . . . . 0.0 111.131 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.411 ' HG3' ' C ' ' A' ' 125' ' ' LEU . 36.4 tt0 -124.25 130.56 52.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.938 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.7 pt -95.38 177.02 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.194 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.2 tp -109.8 142.54 40.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.947 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.419 HD12 ' C ' ' A' ' 52' ' ' GLU . 10.0 tp -138.62 121.3 16.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.976 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.474 HG13 ' CD2' ' A' ' 76' ' ' TRP . 24.0 m -109.53 169.81 3.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.065 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.462 ' HG3' ' CE3' ' A' ' 51' ' ' TRP . 45.2 mt-30 -104.01 163.87 12.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.946 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -102.54 161.3 23.67 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.65 0.738 . . . . 0.0 110.852 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 172.36 12.79 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.718 2.278 . . . . 0.0 112.325 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 36.9 m-20 -76.8 103.55 6.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.1 t -92.74 -59.51 2.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.833 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 174.33 -98.36 0.13 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.505 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 32.6 mt -70.33 -59.03 3.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.812 0.339 . . . . 0.0 110.895 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 48.5 tp -100.19 95.07 6.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.963 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -143.43 163.1 34.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.58 37.81 57.86 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.502 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.469 HD22 ' N ' ' A' ' 50' ' ' LEU . 4.5 mm? -98.53 173.91 6.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.777 0.322 . . . . 0.0 110.922 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.462 ' CE3' ' HG3' ' A' ' 40' ' ' GLN . 98.1 m95 -107.21 110.64 22.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.511 ' N ' ' CD ' ' A' ' 52' ' ' GLU . 0.8 OUTLIER -143.57 165.7 26.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.581 ' CZ ' ' CZ ' ' A' ' 130' ' ' PHE . 22.2 m-85 -71.83 151.94 93.2 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.686 0.755 . . . . 0.0 110.825 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 142.09 46.73 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.686 2.257 . . . . 0.0 112.288 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.8 p -145.94 161.56 39.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.817 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.2 m -124.42 174.84 7.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.156 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 29.1 p -62.05 143.46 56.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.115 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.428 ' CG ' ' N ' ' A' ' 59' ' ' GLU . 72.0 t90 -57.72 167.69 1.05 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.428 ' N ' ' CG ' ' A' ' 58' ' ' TRP . 55.0 mm-40 -156.85 132.26 5.6 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.66 0.743 . . . . 0.0 110.883 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 -19.47 35.69 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.68 2.253 . . . . 0.0 112.302 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -104.92 126.93 52.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -49.93 -35.35 23.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.922 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -72.34 -66.58 0.63 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.0 mp -38.05 -38.25 0.31 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.498 ' OE1' ' CB ' ' A' ' 22' ' ' ALA . 3.3 tp-100 -62.55 -53.55 53.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.436 ' HG2' ' CD2' ' A' ' 85' ' ' LEU . 74.3 mtm180 -65.27 -42.31 93.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -54.31 -49.6 69.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.95 -38.17 57.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 47.1 tp -49.43 -60.3 2.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.957 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 71' ' ' GLN . 87.4 mt -55.77 -54.57 42.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 70' ' ' LEU . 31.7 mm-40 -35.82 -41.64 0.23 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -71.87 -55.62 7.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 24.2 mt -44.63 -46.89 10.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -54.43 -44.66 72.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -53.44 -30.14 38.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.474 ' CD2' HG13 ' A' ' 39' ' ' VAL . 91.9 m95 -88.21 -69.44 0.7 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.457 ' HB2' ' CG2' ' A' ' 115' ' ' VAL . . . -79.82 -72.35 0.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.085 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 155.39 -105.21 0.27 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.446 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 115.11 3.93 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.735 2.29 . . . . 0.0 112.339 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -124.95 133.45 24.82 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.652 0.739 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 178.94 4.06 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.607 2.205 . . . . 0.0 112.393 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -118.76 -64.01 1.33 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.014 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 84' ' ' HIS . 66.7 p -56.85 -50.0 73.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.187 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.44 ' C ' ' O ' ' A' ' 83' ' ' THR . 14.2 m-70 -34.69 -54.42 0.55 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.436 ' CD2' ' HG2' ' A' ' 66' ' ' ARG . 55.7 tp -42.65 140.97 1.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.952 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 26.3 ptt-85 -160.64 131.76 5.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.959 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 33.2 t-80 -68.47 122.4 18.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 19.9 mt -128.8 93.77 3.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.958 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 65.81 -178.19 12.56 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.477 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -145.22 171.23 14.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.906 0.384 . . . . 0.0 110.89 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.454 HG22 ' CG2' ' A' ' 104' ' ' VAL . 57.0 t -143.25 115.8 3.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 65.2 t -125.42 113.2 34.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.216 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 61.7 t60 -99.55 112.08 24.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 32.1 m -81.42 101.91 10.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.437 ' CD2' HD21 ' A' ' 100' ' ' LEU . 32.4 m-85 -71.77 -179.59 2.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 71.4 m -59.06 -52.22 66.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.821 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.408 ' C ' HG13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -130.57 24.38 5.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.408 HG13 ' C ' ' A' ' 97' ' ' HIS . 43.3 mt -143.5 155.18 16.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 19.0 tttp -130.03 115.02 16.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.437 HD21 ' CD2' ' A' ' 95' ' ' PHE . 4.3 mm? -102.5 135.57 43.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.99 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 89.6 m -122.84 97.84 5.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.119 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -96.15 152.68 18.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.949 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -115.29 114.36 25.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.889 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.454 ' CG2' HG22 ' A' ' 91' ' ' VAL . 58.2 t -74.38 124.77 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.196 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -133.93 136.65 44.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -112.38 125.5 7.16 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.505 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.423 ' C ' HD12 ' A' ' 107' ' ' LEU . 2.1 tm? -134.95 103.42 5.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.363 . . . . 0.0 110.958 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -119.63 129.09 54.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.066 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 67.9 mt -75.18 101.54 4.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -69.46 -44.28 71.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -161.79 47.26 0.36 Allowed Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.47 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -105.36 -176.65 3.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.929 0.395 . . . . 0.0 110.918 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 36.7 p -69.08 143.47 94.27 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.508 0.67 . . . . 0.0 111.194 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 168.68 20.88 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.676 2.251 . . . . 0.0 112.344 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.461 ' O ' ' C ' ' A' ' 116' ' ' THR . 7.6 p -110.85 -51.43 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.199 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.461 ' C ' ' O ' ' A' ' 115' ' ' VAL . 3.3 t 31.95 38.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.123 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 115' ' ' VAL . 77.3 m -151.52 127.36 10.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.153 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.431 ' CG2' ' HB1' ' A' ' 122' ' ' ALA . 13.3 p -151.72 134.17 8.62 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.586 0.707 . . . . 0.0 111.102 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 169.75 18.12 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.672 2.248 . . . . 0.0 112.408 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 3.24 2.9 Favored 'Trans proline' 0 C--N 1.34 0.119 0 C-N-CA 122.635 2.224 . . . . 0.0 112.363 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -110.62 9.31 30.28 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.547 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.431 ' HB1' ' CG2' ' A' ' 118' ' ' VAL . . . -139.22 172.82 12.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.799 0.333 . . . . 0.0 111.064 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -151.99 141.52 21.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' TRP . . . . . 0.459 ' CZ2' HD21 ' A' ' 26' ' ' LEU . 34.0 m95 -108.61 112.26 24.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.961 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.411 ' C ' ' HG3' ' A' ' 35' ' ' GLN . 1.2 pp -128.48 168.09 16.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 17.6 p -79.86 160.18 26.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.148 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -50.24 -44.75 53.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -61.51 -48.23 82.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -52.86 -44.85 67.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.867 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.581 ' CZ ' ' CZ ' ' A' ' 53' ' ' PHE . 36.4 t80 -51.42 -59.95 3.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . 0.434 ' C ' ' O ' ' A' ' 130' ' ' PHE . 16.7 m-70 -35.48 -61.21 0.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 59.0 p -66.79 -26.49 66.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.18 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.491 ' N ' ' O ' ' A' ' 130' ' ' PHE . . . -59.84 128.84 38.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.072 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.42 ' C ' HG22 ' A' ' 135' ' ' VAL . . . -56.01 102.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.42 HG22 ' C ' ' A' ' 134' ' ' ALA . 2.4 t -132.24 150.02 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.18 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 137' ' ' THR . 35.3 t -64.38 138.44 58.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 136' ' ' SER . 73.6 m -36.33 -66.1 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.143 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.428 ' HA ' ' CE ' ' A' ' 141' ' ' LYS . . . -39.78 -64.0 0.53 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.082 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 36.7 mmm -46.12 -48.23 17.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . 0.405 ' NZ ' ' O ' ' A' ' 131' ' ' HIS . 7.4 mtpp -58.65 -33.54 70.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.428 ' CE ' ' HA ' ' A' ' 138' ' ' ALA . 46.8 mtmt -70.28 -36.57 74.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.849 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 49.7 t -59.04 -28.26 38.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.16 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -67.56 -67.87 0.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -49.14 -30.73 7.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 33.1 t -72.25 -29.29 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -82.67 -37.48 24.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.957 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 148' ' ' GLY . 67.7 mt-30 -48.6 -40.52 27.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.902 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 147' ' ' GLN . . . -34.23 -66.82 0.27 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.48 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 68.2 mm-40 -91.5 81.34 5.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.833 0.349 . . . . 0.0 110.841 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 92.8 p -101.67 -16.51 16.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -93.48 143.23 16.39 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.433 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -5.27 15.83 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.684 2.256 . . . . 0.0 112.318 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 13.2 t -41.49 130.91 3.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.823 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 60.7 p -149.19 114.85 5.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.511 -179.926 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.245 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.1 p 44.15 42.63 5.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.895 0.379 . . . . 0.0 110.913 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.4 p -138.09 151.52 47.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.49 -149.24 8.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.407 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 m -58.08 144.04 41.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.892 0.377 . . . . 0.0 110.842 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.7 m -102.31 149.73 24.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.844 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.96 145.88 4.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.476 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -4.41 13.93 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.707 2.271 . . . . 0.0 112.387 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.39 -68.24 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.9 ptmm? -95.37 153.41 17.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 52.37 47.87 23.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.057 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.8 t -124.47 123.82 40.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.0 tpp180 -78.99 -49.65 12.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.1 mmtp -81.71 153.74 70.53 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.512 0.672 . . . . 0.0 110.944 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 169.37 19.12 Favored 'Trans proline' 0 N--CA 1.466 -0.136 0 C-N-CA 122.725 2.283 . . . . 0.0 112.285 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.4 Cg_endo -69.76 -24.43 29.7 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.648 2.232 . . . . 0.0 112.285 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 16' ' ' PRO . 62.3 mtm-85 -37.54 -61.23 0.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -87.37 100.29 12.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.853 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -139.47 113.47 8.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.964 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.8 m -115.95 140.53 49.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.9 m -150.42 149.41 30.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -115.99 114.14 24.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.2 t -108.65 147.94 31.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 49.9 t -129.42 158.32 39.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 89.0 t -111.96 122.31 66.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 36.0 tp -103.85 120.5 41.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.973 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -122.23 145.24 48.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -139.37 153.46 70.88 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.623 0.725 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 132.19 22.84 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.694 2.263 . . . . 0.0 112.365 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -125.89 159.23 20.3 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.452 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.94 -29.1 7.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.832 0.348 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.464 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -88.65 -32.75 17.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.949 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 166.33 -66.25 0.2 Allowed Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.463 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -163.52 155.64 17.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.744 0.307 . . . . 0.0 111.106 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -146.32 143.58 29.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.9 pt -106.01 172.82 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.204 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.2 tp -105.74 141.01 37.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.416 HD11 ' C ' ' A' ' 52' ' ' GLU . 10.2 tp -138.92 121.6 16.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.859 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.502 HG11 ' CD2' ' A' ' 76' ' ' TRP . 21.7 m -113.18 130.05 67.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -105.55 142.09 35.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 56.5 mtm180 -81.33 138.65 48.39 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.628 0.727 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -0.8 7.5 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.637 2.225 . . . . 0.0 112.319 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -66.14 151.46 46.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.3 t -131.69 140.32 49.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.835 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 119.81 -135.78 11.33 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.538 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 47' ' ' LEU . 13.3 mt -58.89 124.72 20.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.83 0.347 . . . . 0.0 110.963 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 46' ' ' LEU . 40.3 mt 36.28 45.11 0.32 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.93 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -121.27 159.9 25.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 63.61 42.16 98.88 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.554 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -117.7 156.68 27.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.807 0.337 . . . . 0.0 110.92 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.415 ' CZ3' ' HG2' ' A' ' 123' ' ' ARG . 91.6 m95 -93.17 127.16 38.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.416 ' C ' HD11 ' A' ' 38' ' ' LEU . 1.2 pm0 -154.5 162.74 41.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.686 ' CZ ' ' CE1' ' A' ' 130' ' ' PHE . 22.7 m-85 -67.51 148.33 98.65 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.718 0.771 . . . . 0.0 110.877 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 143.8 52.09 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.691 2.26 . . . . 0.0 112.316 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 56.0 p -146.53 167.05 24.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.85 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.0 m -129.87 169.9 20.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.131 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.8 t -59.46 150.59 26.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 79.7 t90 -62.36 154.3 28.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -138.54 132.54 16.51 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.693 0.759 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -29.65 23.52 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.642 2.228 . . . . 0.0 112.393 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 t -93.31 128.83 39.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -49.78 -36.92 27.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.829 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 64' ' ' LEU . 31.3 tp60 -72.84 -67.58 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 63' ' ' GLN . 8.7 mp -34.38 -42.99 0.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.3 -58.07 9.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.962 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 56.6 mtp180 -62.31 -37.7 86.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -57.76 -59.13 5.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.34 -33.67 76.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 48.3 tp -54.33 -52.38 61.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 71' ' ' GLN . 69.5 mt -64.4 -53.78 43.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 70' ' ' LEU . 13.7 mm-40 -35.29 -55.22 0.64 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -57.34 -50.77 71.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.7 mt -49.64 -50.04 44.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -52.4 -40.54 62.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -52.07 -32.66 35.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.502 ' CD2' HG11 ' A' ' 39' ' ' VAL . 82.8 m95 -86.04 -70.32 0.61 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.988 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.402 ' CA ' HG21 ' A' ' 115' ' ' VAL . . . -79.11 -71.19 0.45 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 149.91 -100.07 0.2 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.513 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.86 113.38 3.37 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.661 2.24 . . . . 0.0 112.373 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -125.15 136.85 28.71 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.629 0.728 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -168.6 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.667 2.245 . . . . 0.0 112.32 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -131.41 -67.05 0.71 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 72.1 p -55.63 -40.7 72.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -43.75 -43.99 6.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.888 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 47.1 tp -53.8 130.82 38.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 58.0 mtt180 -149.38 127.28 11.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 -68.65 122.37 18.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.823 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 20.0 mt -125.96 91.17 3.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 71.67 -170.11 49.27 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.521 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -148.95 171.07 16.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.935 0.398 . . . . 0.0 110.837 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.456 HG22 ' CG2' ' A' ' 104' ' ' VAL . 43.3 t -142.27 107.23 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.146 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 55.0 t -116.09 107.21 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.745 ' CD2' ' CE1' ' A' ' 95' ' ' PHE . 8.7 t60 -101.71 146.6 27.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 31.4 m -111.43 115.73 29.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.128 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.745 ' CE1' ' CD2' ' A' ' 93' ' ' HIS . 29.1 m-85 -102.84 174.5 5.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.542 ' O ' ' N ' ' A' ' 98' ' ' ILE . 2.5 m -46.9 124.36 6.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.582 ' CG ' ' O ' ' A' ' 97' ' ' HIS . 0.7 OUTLIER 35.24 29.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.542 ' N ' ' O ' ' A' ' 96' ' ' SER . 61.4 mt -146.61 151.12 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.103 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.1 ttpt -135.15 123.07 22.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -107.85 150.47 26.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.854 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 92.4 m -134.19 106.01 6.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -105.0 142.11 35.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 43.6 mm-40 -105.51 114.58 28.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.456 ' CG2' HG22 ' A' ' 91' ' ' VAL . 61.9 t -70.06 123.08 23.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.088 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -130.97 133.98 46.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.965 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -103.19 149.89 17.6 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.462 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.411 ' C ' ' CD1' ' A' ' 107' ' ' LEU . 0.4 OUTLIER -167.33 123.85 1.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.887 0.375 . . . . 0.0 110.95 -179.889 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -150.22 161.57 42.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.089 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 65.9 mt -105.98 102.09 11.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -47.1 -21.93 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 134.09 60.11 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.454 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.497 ' O ' ' CG2' ' A' ' 113' ' ' THR . 5.4 pt20 -100.99 -54.7 2.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.925 0.393 . . . . 0.0 110.961 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.497 ' CG2' ' O ' ' A' ' 112' ' ' GLN . 14.0 p -165.79 143.04 4.59 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.585 0.707 . . . . 0.0 111.15 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.61 178.15 4.77 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.774 2.316 . . . . 0.0 112.329 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.453 ' O ' ' C ' ' A' ' 116' ' ' THR . 5.1 p -112.04 -37.0 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.156 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.453 ' C ' ' O ' ' A' ' 115' ' ' VAL . 7.7 p 34.01 38.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.122 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.405 ' N ' ' O ' ' A' ' 115' ' ' VAL . 24.4 m -154.64 121.77 5.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.409 ' CG2' ' HB2' ' A' ' 122' ' ' ALA . 9.4 p -163.82 130.24 2.32 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.578 0.704 . . . . 0.0 111.123 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 168.43 21.54 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.634 2.223 . . . . 0.0 112.37 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -0.73 7.29 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.66 2.24 . . . . 0.0 112.343 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -100.63 4.36 56.49 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.493 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.414 ' HB1' ' CE3' ' A' ' 76' ' ' TRP . . . -135.68 169.11 18.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.761 0.315 . . . . 0.0 111.094 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.474 ' CZ ' ' HB2' ' A' ' 123' ' ' ARG . 2.9 ptm85 -153.06 146.23 24.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 29.2 m95 -105.95 106.47 17.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.3 pp -120.81 169.17 10.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.928 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 10.2 p -81.8 171.03 15.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.163 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 16.6 mp0 -60.23 -47.54 85.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -64.63 -40.53 95.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -59.77 -33.75 72.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.96 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.686 ' CE1' ' CZ ' ' A' ' 53' ' ' PHE . 4.8 t80 -61.92 -60.79 3.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . 0.441 ' C ' ' O ' ' A' ' 130' ' ' PHE . 19.1 m-70 -34.45 -58.07 0.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.825 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 82.2 p -62.79 -43.04 99.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.131 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -40.56 148.95 0.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -70.05 95.28 0.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.169 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.42 ' HB ' ' CG ' ' A' ' 140' ' ' LYS . 2.0 t -128.77 143.64 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 13.9 m -72.7 152.96 41.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.424 ' CG2' ' HD2' ' A' ' 141' ' ' LYS . 31.8 m -43.53 -65.72 0.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.149 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 137' ' ' THR . . . -34.56 -69.93 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.15 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 40.2 mmm -51.24 -44.52 61.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . 0.42 ' CG ' ' HB ' ' A' ' 135' ' ' VAL . 53.6 mttt -59.73 -23.97 63.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.424 ' HD2' ' CG2' ' A' ' 137' ' ' THR . 36.2 mtpt -82.42 -31.62 29.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 91.2 t -68.15 -11.25 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.083 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -86.0 -63.07 1.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -49.12 -25.26 2.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 97.0 t -80.18 -43.65 22.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -61.69 -41.08 97.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.961 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -47.19 -57.84 4.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -87.08 113.31 3.93 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.46 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.67 -40.29 7.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.8 0.333 . . . . 0.0 110.923 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 66.3 p -42.42 -49.94 5.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -54.85 124.88 33.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.456 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.8 132.24 22.86 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.627 2.218 . . . . 0.0 112.341 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 1.1 t -43.78 -57.4 3.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 36.7 m -38.49 -58.6 1.01 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.916 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.537 179.972 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.5 p -132.07 154.71 49.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.861 0.362 . . . . 0.0 110.863 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.1 p -144.37 152.05 40.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.831 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.45 -80.45 0.25 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.489 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -105.96 155.86 18.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.901 0.381 . . . . 0.0 110.849 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -130.04 102.81 6.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.55 65.76 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.447 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.83 -45.06 1.69 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.617 2.212 . . . . 0.0 112.362 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 35.9 ttt85 -119.85 167.76 11.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.5 mmtp -44.18 168.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.86 88.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.09 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.7 m -159.8 124.08 3.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.807 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.18 80.9 0.34 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.932 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.9 mmtm -145.52 152.83 50.48 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.574 0.702 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 139.76 41.16 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.685 2.257 . . . . 0.0 112.324 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.7 Cg_endo -69.8 -37.51 8.97 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.628 2.219 . . . . 0.0 112.315 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 16' ' ' PRO . 43.8 mtt180 -37.63 -56.34 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.866 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -91.17 100.13 13.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -140.25 113.35 8.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.8 p -118.48 142.45 47.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.834 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.3 m -157.33 156.69 32.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.94 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -124.65 117.95 25.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.447 ' CG2' HG12 ' A' ' 142' ' ' VAL . 14.8 t -111.17 151.03 28.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.2 t -126.42 159.3 33.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.856 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 77.7 t -113.6 91.15 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 31.8 tp -78.54 117.69 19.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.465 ' HG2' ' N ' ' A' ' 28' ' ' GLN . 9.9 tt0 -131.97 145.84 51.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.465 ' N ' ' HG2' ' A' ' 27' ' ' GLU . 0.5 OUTLIER -135.6 149.41 69.14 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.577 0.703 . . . . 0.0 110.99 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 121.68 8.38 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.726 2.284 . . . . 0.0 112.393 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -119.14 166.87 13.14 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.486 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.54 -55.85 8.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.845 0.355 . . . . 0.0 111.102 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 74.7 mt -60.52 -43.16 97.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.73 -69.08 0.1 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.51 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -164.72 157.23 16.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.71 0.29 . . . . 0.0 111.121 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -144.78 145.68 31.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.0 pt -111.03 176.53 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 36.2 tp -110.98 142.39 43.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.469 HD12 ' CE1' ' A' ' 53' ' ' PHE . 11.2 tp -140.25 121.12 14.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 28.3 m -111.43 141.67 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -93.3 163.21 13.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.983 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -102.86 136.14 19.32 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.559 0.695 . . . . 0.0 110.91 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 2.71 3.26 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.713 2.276 . . . . 0.0 112.345 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 34.8 t-20 -76.13 141.17 41.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 57.6 m -125.94 116.36 21.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 143.96 -159.91 27.7 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.505 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.9 mt -50.02 115.28 1.34 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.837 0.351 . . . . 0.0 110.934 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.3 mt 59.08 43.37 17.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.5 ' O ' ' CD2' ' A' ' 50' ' ' LEU . . . -131.47 158.61 40.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.69 38.19 92.99 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.462 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.5 ' CD2' ' O ' ' A' ' 48' ' ' ALA . 4.2 mm? -112.9 153.9 27.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.772 0.32 . . . . 0.0 110.969 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.46 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 97.2 m95 -80.79 132.42 35.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -161.92 152.36 17.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.617 ' CZ ' ' CE1' ' A' ' 130' ' ' PHE . 9.1 m-85 -57.1 148.25 52.02 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.639 0.733 . . . . 0.0 110.87 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.73 140.9 43.91 Favored 'Trans proline' 0 N--CA 1.465 -0.2 0 C-N-CA 122.733 2.289 . . . . 0.0 112.381 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.0 p -139.18 163.84 31.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.832 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.426 ' CG1' ' HA ' ' A' ' 69' ' ' LEU . 17.7 m -127.01 179.61 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 19.0 p -67.41 139.98 57.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.561 ' CH2' ' HA ' ' A' ' 60' ' ' PRO . 83.9 t90 -51.45 162.05 0.4 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.406 ' HB2' ' CD ' ' A' ' 65' ' ' GLN . 5.4 mm-40 -151.95 129.05 5.56 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.607 0.718 . . . . 0.0 110.945 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.561 ' HA ' ' CH2' ' A' ' 58' ' ' TRP . 53.5 Cg_endo -69.76 -29.07 24.45 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.708 2.272 . . . . 0.0 112.325 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.1 t -93.56 132.65 37.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.829 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.434 ' HG2' ' N ' ' A' ' 63' ' ' GLN . 0.6 OUTLIER -53.06 -37.21 61.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.434 ' N ' ' HG2' ' A' ' 62' ' ' GLU . 44.2 tt0 -72.48 -66.49 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 63' ' ' GLN . 9.3 mp -36.67 -41.75 0.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.406 ' CD ' ' HB2' ' A' ' 59' ' ' GLU . 8.2 tp60 -57.51 -48.41 79.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.427 ' HG2' ' CD2' ' A' ' 85' ' ' LEU . 16.6 mtp180 -72.23 -32.13 66.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -58.23 -59.66 4.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.86 -38.9 73.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.426 ' HA ' ' CG1' ' A' ' 56' ' ' VAL . 53.2 tp -51.41 -53.86 32.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 71' ' ' GLN . 83.0 mt -64.27 -50.12 69.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.447 ' HA ' ' NE2' ' A' ' 74' ' ' GLN . 14.4 mm-40 -35.94 -48.37 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.1 tp10 -65.61 -58.02 6.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.94 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.2 mt -40.23 -54.87 2.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.447 ' NE2' ' HA ' ' A' ' 71' ' ' GLN . 44.8 mt-30 -48.24 -38.06 17.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -55.13 -31.36 61.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 60.5 m95 -88.62 -71.88 0.57 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.8 -72.92 0.26 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.11 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 150.8 -97.63 0.18 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.506 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 108.2 2.03 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.752 2.302 . . . . 0.0 112.29 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -119.43 126.84 26.77 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.675 0.75 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -179.44 2.93 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.675 2.25 . . . . 0.0 112.368 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -120.55 -72.51 0.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.104 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 47.8 m -49.64 -49.89 45.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.191 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 -39.01 -36.23 0.27 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.427 ' CD2' ' HG2' ' A' ' 66' ' ' ARG . 25.0 tp -64.33 128.25 34.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 28.8 mtt85 -145.19 105.28 4.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.44 ' NE2' ' O ' ' A' ' 89' ' ' GLY . 13.2 t-80 -42.2 129.09 3.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 25.6 mt -123.94 90.03 3.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.44 ' O ' ' NE2' ' A' ' 87' ' ' HIS . . . 60.84 -170.3 8.12 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.495 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -146.44 171.02 15.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.921 0.391 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.464 HG22 ' CG2' ' A' ' 104' ' ' VAL . 77.3 t -140.58 117.03 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.199 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.6 t -129.91 106.4 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.077 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 37.7 t60 -98.68 107.0 19.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.848 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.7 p -79.7 101.68 8.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.135 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.423 ' N ' ' O ' ' A' ' 98' ' ' ILE . 64.8 m-85 -70.93 -179.88 2.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.9 t -47.77 -68.06 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.923 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.567 ' CD2' HG13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -120.27 28.04 8.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.567 HG13 ' CD2' ' A' ' 97' ' ' HIS . 60.8 mt -144.55 146.76 19.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 28.1 tttm -126.77 118.06 23.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.464 ' CD2' HG21 ' A' ' 98' ' ' ILE . 4.1 mm? -105.5 140.72 38.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.994 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 90.9 m -123.63 109.33 13.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.109 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -109.09 139.58 43.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.94 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -103.48 110.09 21.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.836 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.464 ' CG2' HG22 ' A' ' 91' ' ' VAL . 65.7 t -69.94 123.97 24.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.148 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -134.04 127.17 31.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -109.29 119.49 5.53 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.514 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.427 ' C ' ' CD1' ' A' ' 107' ' ' LEU . 1.7 tm? -135.31 109.58 8.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.867 0.365 . . . . 0.0 110.913 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -124.22 140.37 53.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.078 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 87.6 mt -78.2 101.45 7.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -72.37 -53.16 13.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -149.05 48.51 0.6 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.46 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -113.02 -179.0 3.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.97 0.414 . . . . 0.0 110.884 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 37.8 p -74.72 128.82 84.77 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.528 0.68 . . . . 0.0 111.177 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.66 167.02 25.52 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.708 2.272 . . . . 0.0 112.318 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.426 ' CG2' ' O ' ' A' ' 117' ' ' THR . 10.3 p -94.56 -45.69 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.118 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 43.7 p 45.86 30.4 0.86 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.426 ' O ' ' CG2' ' A' ' 115' ' ' VAL . 5.8 t -170.0 151.25 3.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.471 ' CG2' ' HD2' ' A' ' 119' ' ' PRO . 11.0 p -154.9 137.18 9.89 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.621 0.724 . . . . 0.0 111.145 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.471 ' HD2' ' CG2' ' A' ' 118' ' ' VAL . 54.0 Cg_endo -69.8 169.97 17.71 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.698 2.265 . . . . 0.0 112.306 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 116.73 4.7 Favored 'Trans proline' 0 N--CA 1.464 -0.225 0 C-N-CA 122.738 2.292 . . . . 0.0 112.359 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 127.83 -26.43 4.81 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.406 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -98.44 148.11 24.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.824 0.345 . . . . 0.0 111.105 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.443 ' HB3' ' CZ3' ' A' ' 51' ' ' TRP . 7.1 ttt180 -122.1 141.7 51.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 28.2 m95 -117.4 103.59 10.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.425 HD11 ' C ' ' A' ' 125' ' ' LEU . 1.7 pp -125.67 169.96 12.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 22.7 p -78.27 161.97 26.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -51.45 -43.78 62.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -65.99 -46.8 76.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -50.58 -45.61 57.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.617 ' CE1' ' CZ ' ' A' ' 53' ' ' PHE . 25.1 t80 -50.76 -53.89 28.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.877 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -42.5 -53.4 4.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.855 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 51.9 p -70.86 -33.78 70.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.179 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -52.39 139.55 24.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.033 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.412 ' C ' HG23 ' A' ' 135' ' ' VAL . . . -54.77 96.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.458 ' HB ' ' CG ' ' A' ' 140' ' ' LYS . 3.1 t -132.76 137.85 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 7.9 p -64.94 157.2 28.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.821 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 47.7 m -49.55 -57.76 6.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -45.58 -70.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.033 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 39.0 mmm -46.02 -46.33 16.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . 0.458 ' CG ' ' HB ' ' A' ' 135' ' ' VAL . 73.6 mttt -57.06 -31.43 65.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 15.7 mtpp -73.59 -41.28 63.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.447 HG12 ' CG2' ' A' ' 23' ' ' THR . 69.2 t -53.89 -15.4 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.138 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.446 ' O ' ' N ' ' A' ' 146' ' ' TYR . 87.5 t80 -82.38 -70.2 0.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.912 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -39.71 -29.99 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.4 ' N ' ' O ' ' A' ' 143' ' ' PHE . 86.7 t -69.62 -43.21 80.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . 0.446 ' N ' ' O ' ' A' ' 143' ' ' PHE . 2.4 t80 -66.11 -46.32 78.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -39.25 -55.26 1.71 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -88.87 72.97 2.21 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.476 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . 0.413 ' CG ' ' O ' ' A' ' 149' ' ' GLN . 19.3 pt20 -72.05 107.17 4.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.783 0.325 . . . . 0.0 110.955 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 54.5 m -132.71 81.53 1.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 50.19 179.68 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.497 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 162.61 41.45 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.714 2.276 . . . . 0.0 112.338 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 78.0 p -57.61 119.13 6.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.898 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 91.6 p -106.39 147.83 28.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.796 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.518 -179.988 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 m -61.33 141.04 57.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.898 0.38 . . . . 0.0 110.854 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.8 p -77.65 -58.8 3.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.838 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.27 100.1 2.63 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.498 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.2 m -124.31 144.75 49.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.861 0.362 . . . . 0.0 110.923 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -141.93 156.23 45.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -50.56 164.37 0.77 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.541 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.84 -1.71 9.0 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.655 2.237 . . . . 0.0 112.334 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 35.8 mtm-85 -52.45 -60.9 2.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 50.0 mttp -132.52 171.87 13.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 12' ' ' SER . . . -116.49 39.98 3.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.074 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 11' ' ' ALA . 68.0 m -34.96 -54.55 0.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -112.8 -58.2 2.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.5 mmmt -116.99 147.54 40.34 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.583 0.706 . . . . 0.0 110.932 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 168.22 22.18 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.674 2.249 . . . . 0.0 112.333 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.5 Cg_endo -69.74 -25.26 28.89 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.699 2.266 . . . . 0.0 112.288 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 16' ' ' PRO . 37.9 mtp180 -35.82 -71.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.938 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 1.3 tp10 -85.3 117.84 24.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.443 ' CB ' HD11 ' A' ' 100' ' ' LEU . 17.3 mt-10 -149.92 112.65 4.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.6 m -116.32 140.34 49.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.6 m -154.43 157.35 38.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.887 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -121.18 105.03 10.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.127 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.8 t -99.0 140.4 33.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.174 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 105' ' ' TYR . 46.4 t -113.44 162.91 15.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 74.0 t -117.72 88.82 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 28.4 tp -74.31 123.63 24.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.983 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -136.17 145.02 45.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.468 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 10.2 tt0 -140.2 140.87 24.56 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.609 0.719 . . . . 0.0 110.888 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.468 ' HD2' ' CG ' ' A' ' 28' ' ' GLN . 54.7 Cg_endo -69.71 133.28 25.27 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.673 2.249 . . . . 0.0 112.408 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -126.23 -144.92 6.24 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.48 -65.01 1.04 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.759 0.314 . . . . 0.0 111.047 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.1 mt -57.98 -42.26 84.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.854 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.52 -78.74 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.474 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.45 146.71 13.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.679 0.276 . . . . 0.0 111.118 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -131.31 158.86 39.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.7 pt -109.93 176.52 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.134 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 tp -111.65 140.97 45.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.461 ' CD2' ' HB3' ' A' ' 51' ' ' TRP . 9.4 tp -132.88 144.29 50.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.94 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.47 HG13 ' CE2' ' A' ' 76' ' ' TRP . 4.5 m -119.24 159.39 20.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -106.79 130.37 54.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.4 mmp_? -72.45 155.58 91.1 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.596 0.713 . . . . 0.0 110.832 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 161.73 44.81 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.657 2.238 . . . . 0.0 112.368 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -80.06 73.29 6.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.927 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 t -161.79 127.35 3.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.809 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.59 148.4 16.85 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.447 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.2 mt -55.07 153.09 6.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.918 0.39 . . . . 0.0 110.942 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 14.3 tp 62.19 38.28 13.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.919 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.496 ' O ' ' CD2' ' A' ' 50' ' ' LEU . . . -95.48 166.64 11.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.76 28.61 62.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.477 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.496 ' CD2' ' O ' ' A' ' 48' ' ' ALA . 2.9 mm? -115.3 141.99 47.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.848 0.356 . . . . 0.0 110.904 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.461 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 61.2 m95 -76.84 133.5 39.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.427 ' C ' HD13 ' A' ' 38' ' ' LEU . 5.1 mt-10 -153.02 170.06 21.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.57 ' CZ ' ' CE2' ' A' ' 130' ' ' PHE . 22.7 m-85 -76.6 143.91 72.72 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.639 0.733 . . . . 0.0 110.862 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 139.27 39.82 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.675 2.25 . . . . 0.0 112.359 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 77.3 p -146.71 167.87 22.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.4 m -126.62 177.76 5.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.181 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 29.4 p -66.49 128.41 36.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.114 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 80.0 t90 -44.27 150.8 0.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.421 ' HG3' ' C ' ' A' ' 64' ' ' LEU . 26.6 mm-40 -130.06 136.22 28.7 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.611 0.72 . . . . 0.0 110.897 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -21.77 33.24 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.749 2.3 . . . . 0.0 112.303 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 t -107.14 143.59 35.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.888 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -63.77 -20.78 66.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.852 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.3 tp60 -87.14 -54.41 4.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.421 ' C ' ' HG3' ' A' ' 59' ' ' GLU . 1.9 mp -50.58 -32.19 17.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -64.04 -66.71 0.51 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.962 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 34.0 mtm180 -59.53 -29.25 67.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.819 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.4 mtmt -62.14 -60.24 3.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.15 -31.11 68.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.2 tp -53.76 -57.78 9.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 91.5 mt -58.94 -50.02 75.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -40.89 -34.34 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -79.98 -56.72 4.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 30.7 mt -41.38 -47.16 3.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.954 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -53.6 -37.73 63.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -54.43 -30.32 52.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.47 ' CE2' HG13 ' A' ' 39' ' ' VAL . 61.7 m95 -93.68 -71.6 0.65 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.94 -71.7 0.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.106 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 145.31 -98.62 0.2 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.508 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 106.34 1.66 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.671 2.247 . . . . 0.0 112.353 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -121.37 127.24 26.21 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.61 0.719 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.64 -177.62 1.92 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.675 2.25 . . . . 0.0 112.359 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -124.7 -57.75 1.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.032 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 27.7 m -55.6 -44.66 77.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -54.67 -35.11 63.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 37.5 tp -63.92 130.15 42.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 -151.79 164.08 37.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -99.69 124.74 45.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.832 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.461 ' HB3' ' CG ' ' A' ' 149' ' ' GLN . 1.9 mt -126.51 95.36 4.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 68.75 177.07 13.22 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.469 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -134.57 165.09 26.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.844 0.354 . . . . 0.0 110.907 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.468 HG23 ' CG2' ' A' ' 104' ' ' VAL . 58.5 t -137.91 112.05 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.084 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 55.5 t -125.73 106.84 16.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.126 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.706 ' CD2' ' CE1' ' A' ' 95' ' ' PHE . 15.3 t60 -100.94 135.4 42.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.77 119.12 37.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.207 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.706 ' CE1' ' CD2' ' A' ' 93' ' ' HIS . 70.4 m-85 -104.28 178.96 4.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.402 ' O ' ' CG ' ' A' ' 97' ' ' HIS . 22.9 t -52.86 116.34 2.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.797 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.402 ' CG ' ' O ' ' A' ' 96' ' ' SER . 25.5 p-80 42.22 28.83 0.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.504 ' CG2' ' N ' ' A' ' 99' ' ' LYS . 73.0 mt -138.77 159.72 30.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.504 ' N ' ' CG2' ' A' ' 98' ' ' ILE . 5.0 ttpt -139.03 127.19 22.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.929 179.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.443 HD11 ' CB ' ' A' ' 19' ' ' GLU . 3.6 mm? -118.05 143.12 46.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.931 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 92.8 m -129.76 111.15 12.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.104 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -112.1 132.38 54.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.956 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -98.04 115.2 27.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.836 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.468 ' CG2' HG23 ' A' ' 91' ' ' VAL . 67.4 t -71.17 123.93 26.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.065 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.4 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 22.4 m-85 -134.99 103.92 5.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -84.67 134.66 12.85 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -151.69 115.38 4.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 110.925 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -131.78 157.18 44.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 67.4 mt -88.89 106.59 18.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.974 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -47.86 -44.13 29.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.974 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 155.73 49.88 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.487 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -95.0 -69.75 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 0.0 110.856 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 34.3 p -159.52 142.46 10.32 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.558 0.694 . . . . 0.0 111.19 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -168.6 0.28 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.688 2.258 . . . . 0.0 112.37 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.431 ' O ' ' C ' ' A' ' 116' ' ' THR . 7.5 p -120.72 -39.48 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 115' ' ' VAL . 5.8 p 34.6 45.02 0.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 80.1 m -165.89 120.94 1.23 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.149 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.436 ' CG2' ' HD2' ' A' ' 119' ' ' PRO . 13.5 p -144.88 136.08 12.52 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.577 0.703 . . . . 0.0 111.205 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.436 ' HD2' ' CG2' ' A' ' 118' ' ' VAL . 53.6 Cg_endo -69.72 165.56 30.51 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.744 2.296 . . . . 0.0 112.288 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 97.23 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.724 2.283 . . . . 0.0 112.33 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 146.04 -10.26 1.58 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.486 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -114.16 153.96 28.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.341 . . . . 0.0 111.09 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 11.8 ttm-85 -132.63 148.67 52.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 37.1 m95 -112.38 101.47 9.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.957 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.433 ' HB2' ' CB ' ' A' ' 129' ' ' GLU . 1.5 pp -120.96 169.54 10.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.945 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 5.3 p -91.07 164.47 13.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -48.78 -47.11 42.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -61.83 -38.85 89.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.433 ' CB ' ' HB2' ' A' ' 125' ' ' LEU . 36.5 mm-40 -63.93 -47.25 81.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.57 ' CE2' ' CZ ' ' A' ' 53' ' ' PHE . 9.7 t80 -49.78 -55.32 14.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.823 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 130' ' ' PHE . 3.2 m-70 -38.21 -63.19 0.51 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 64.0 p -57.9 -27.45 63.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.187 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 130' ' ' PHE . . . -57.07 153.59 11.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.075 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -80.24 99.64 7.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.143 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.44 HG23 ' CE2' ' A' ' 130' ' ' PHE . 0.5 OUTLIER -130.91 158.49 43.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 137' ' ' THR . 3.6 p -85.46 149.27 25.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 140' ' ' LYS . 55.5 m -34.42 -68.6 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.185 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.406 ' HA ' ' CG ' ' A' ' 141' ' ' LYS . . . -38.61 -59.42 0.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 44.5 mmm -58.96 -29.23 67.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 137' ' ' THR . 14.0 mtpt -76.74 -31.63 57.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.879 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.468 ' CD ' HG12 ' A' ' 91' ' ' VAL . 0.1 OUTLIER -89.76 -11.66 41.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.7 t -74.61 -18.8 16.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.487 ' CZ ' ' CD ' ' A' ' 147' ' ' GLN . 38.7 t80 -91.23 -47.52 7.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.5 -19.26 14.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.857 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 30.3 t -82.75 -19.28 10.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.094 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -94.29 -31.08 14.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . 0.487 ' CD ' ' CZ ' ' A' ' 143' ' ' PHE . 19.3 mt-30 -63.36 -37.85 88.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -90.96 43.36 2.85 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.483 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . 0.461 ' CG ' ' HB3' ' A' ' 88' ' ' LEU . 35.3 mm-40 -141.18 171.26 14.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.749 0.309 . . . . 0.0 110.972 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 3.6 m -63.61 173.65 1.61 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.831 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 123.9 -70.95 0.44 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.484 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 -11.63 31.14 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.685 2.257 . . . . 0.0 112.35 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 54.1 p -72.13 108.22 5.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.776 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 39.7 t -92.29 115.1 27.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.862 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.391 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.528 -179.986 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.1 p -106.1 -56.4 2.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.937 0.399 . . . . 0.0 110.883 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.7 p -53.49 141.74 24.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.774 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.85 -60.47 0.46 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.48 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.0 p 39.54 37.31 0.29 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.877 0.37 . . . . 0.0 110.825 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.4 m -89.01 110.87 21.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.81 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.73 -149.64 19.57 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.455 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 2.46 3.54 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.63 2.22 . . . . 0.0 112.348 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.5 mtm180 -97.59 54.76 1.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 11' ' ' ALA . 39.1 pttt -72.04 -175.18 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 10' ' ' LYS . . . -34.51 -51.89 0.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.092 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.457 ' O ' ' C ' ' A' ' 13' ' ' ARG . 76.6 p -114.4 101.3 9.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.854 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.457 ' C ' ' O ' ' A' ' 12' ' ' SER . 8.9 ptt180 -33.92 144.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.936 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.1 mmmm -149.53 155.95 39.07 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.594 0.711 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 152.87 69.39 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.677 2.251 . . . . 0.0 112.348 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.1 Cg_endo -69.78 -26.38 27.54 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.683 2.255 . . . . 0.0 112.348 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 16' ' ' PRO . 19.1 mtp180 -33.32 -74.07 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 3.5 tp10 -85.56 119.03 25.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -149.56 112.48 4.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.92 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.2 m -115.77 137.32 52.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.806 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.7 m -154.38 155.47 35.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.865 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -117.94 112.31 20.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.065 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.8 t -103.8 141.78 35.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.411 ' SG ' ' N ' ' A' ' 25' ' ' VAL . 16.1 t -125.59 158.68 34.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.411 ' N ' ' SG ' ' A' ' 24' ' ' CYS . 84.6 t -113.35 124.62 70.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.173 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.9 tp -109.51 118.9 37.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -126.62 147.48 49.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.83 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.443 ' HG2' ' CZ3' ' A' ' 124' ' ' TRP . 3.4 pt20 -138.79 149.37 61.79 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.671 0.748 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 117.08 4.87 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.66 2.24 . . . . 0.0 112.333 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -106.75 -160.39 21.91 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.473 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.77 -62.24 1.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.802 0.334 . . . . 0.0 111.07 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 34.3 mt -61.46 -45.85 92.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -168.67 -85.42 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.511 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -156.8 156.19 32.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.723 0.296 . . . . 0.0 111.119 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.459 ' CG ' HG22 ' A' ' 126' ' ' THR . 13.4 mt-30 -139.08 153.44 48.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.6 pt -112.27 173.03 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.121 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.2 tp -103.92 134.3 47.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.42 HD23 ' CD2' ' A' ' 125' ' ' LEU . 10.0 tp -134.86 123.9 24.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.971 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.482 HG11 ' CD2' ' A' ' 76' ' ' TRP . 23.6 m -106.58 157.8 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.214 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -105.14 147.14 28.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 42.8 mtp180 -85.68 154.48 58.84 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.619 0.723 . . . . 0.0 110.855 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 170.65 16.03 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.68 2.253 . . . . 0.0 112.388 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -79.78 56.96 2.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.4 t -121.9 130.6 53.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.904 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.38 175.45 42.99 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.503 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.3 mt -69.97 -47.88 60.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.836 0.35 . . . . 0.0 110.861 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.2 tp -88.56 76.56 8.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.938 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -135.99 177.56 7.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.12 10.04 61.39 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.466 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -89.41 177.75 6.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.752 0.31 . . . . 0.0 110.973 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 79.6 m95 -114.96 124.87 52.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.933 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -153.84 156.11 37.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.685 ' CZ ' ' CE1' ' A' ' 130' ' ' PHE . 24.3 m-85 -58.42 146.82 70.83 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.62 0.724 . . . . 0.0 110.923 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 139.8 41.28 Favored 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.721 2.281 . . . . 0.0 112.368 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 85.4 p -146.08 165.06 30.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.1 m -126.22 171.41 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.7 t -56.32 153.82 9.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 85.2 t90 -68.11 142.45 55.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -125.59 130.35 24.11 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.692 0.758 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -22.96 31.38 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.683 2.256 . . . . 0.0 112.321 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.3 t -95.28 137.09 34.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -59.01 -24.28 62.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -86.2 -62.37 1.53 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.5 mp -39.49 -38.72 0.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -57.65 -54.67 44.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.406 ' NH2' ' O ' ' A' ' 82' ' ' ALA . 65.5 mtp180 -65.43 -52.21 54.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -44.7 -68.09 0.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.939 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.56 -46.85 83.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.069 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.3 tp -43.2 -43.53 4.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 71' ' ' GLN . 53.2 mt -76.11 -48.6 20.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.956 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 70' ' ' LEU . 82.8 mt-30 -35.29 -48.46 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.3 tp10 -66.97 -55.06 16.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.5 mt -41.94 -46.97 4.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -56.2 -43.4 78.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.941 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 47.8 mtp180 -49.47 -32.73 12.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.482 ' CD2' HG11 ' A' ' 39' ' ' VAL . 71.9 m95 -87.11 -69.38 0.69 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.406 ' C ' HG22 ' A' ' 115' ' ' VAL . . . -76.49 -70.41 0.45 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.081 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 147.76 -102.3 0.24 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.456 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 108.22 2.04 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.636 2.224 . . . . 0.0 112.305 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -119.87 132.97 23.87 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.548 0.689 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.451 ' CG ' HD12 ' A' ' 107' ' ' LEU . 53.8 Cg_endo -69.74 -168.49 0.28 Allowed 'Trans proline' 0 C--N 1.34 0.111 0 C-N-CA 122.68 2.253 . . . . 0.0 112.354 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.406 ' O ' ' NH2' ' A' ' 66' ' ' ARG . . . -132.25 -59.11 0.93 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.136 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 88.0 m -57.77 -42.87 84.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -51.77 -24.92 6.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.822 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 26.7 tp -75.76 129.29 36.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -149.78 149.43 30.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 -87.14 126.19 34.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.6 mt -127.66 92.8 3.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 69.07 -170.35 41.3 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.46 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -143.33 170.53 15.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.807 0.337 . . . . 0.0 110.93 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.47 HG11 ' CD ' ' A' ' 141' ' ' LYS . 40.4 t -143.23 105.09 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 90.5 t -118.83 111.86 35.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.092 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.479 ' CD2' ' CE1' ' A' ' 95' ' ' PHE . 27.5 t60 -105.04 147.82 27.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 45.1 m -118.93 114.89 23.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.181 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.479 ' CE1' ' CD2' ' A' ' 93' ' ' HIS . 85.9 m-85 -99.61 -176.49 3.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.49 ' O ' ' CG ' ' A' ' 97' ' ' HIS . 10.9 m -51.42 114.37 1.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.49 ' CG ' ' O ' ' A' ' 96' ' ' SER . 12.4 p-80 43.96 28.26 0.24 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.813 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.463 ' CG2' ' N ' ' A' ' 99' ' ' LYS . 26.8 mt -137.48 156.24 32.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.184 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.463 ' N ' ' CG2' ' A' ' 98' ' ' ILE . 0.0 OUTLIER -137.9 127.03 24.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.835 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.411 HD11 ' CE1' ' A' ' 102' ' ' TYR . 1.3 mm? -117.5 142.9 46.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.972 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 35.0 m -127.76 111.27 13.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.158 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.411 ' CE1' HD11 ' A' ' 100' ' ' LEU . 68.2 m-85 -112.15 137.05 50.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -100.31 120.28 39.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.462 ' CG2' HG12 ' A' ' 145' ' ' VAL . 59.1 t -73.81 127.41 35.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.134 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -136.88 137.6 39.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -113.71 148.69 18.69 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.508 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.451 HD12 ' CG ' ' A' ' 81' ' ' PRO . 0.4 OUTLIER -162.44 106.51 1.15 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.776 0.322 . . . . 0.0 110.888 -179.879 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -124.23 140.86 52.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.078 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 85.3 mt -84.98 104.82 15.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.972 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -48.55 -22.28 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 125.19 46.49 0.23 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.554 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -88.5 -69.75 0.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.358 . . . . 0.0 110.844 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 6.4 p -146.06 140.4 15.5 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.486 0.66 . . . . 0.0 111.185 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 171.32 14.68 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.664 2.243 . . . . 0.0 112.34 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.451 ' O ' ' C ' ' A' ' 116' ' ' THR . 5.9 p -103.86 -41.81 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 115' ' ' VAL . 22.7 p 34.2 45.38 0.12 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 85.3 m -160.89 122.35 2.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.075 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.461 ' CG2' ' HD2' ' A' ' 119' ' ' PRO . 6.3 p -165.57 135.83 2.88 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.58 0.705 . . . . 0.0 111.131 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.461 ' HD2' ' CG2' ' A' ' 118' ' ' VAL . 53.6 Cg_endo -69.77 168.5 21.4 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.685 2.257 . . . . 0.0 112.325 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 -0.28 6.67 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.701 2.267 . . . . 0.0 112.294 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -100.43 -5.22 54.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.53 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -126.19 150.33 48.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.728 0.299 . . . . 0.0 111.096 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -132.18 153.18 50.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.829 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' TRP . . . . . 0.443 ' CZ3' ' HG2' ' A' ' 28' ' ' GLN . 31.6 m95 -111.47 100.56 9.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.424 HD11 ' C ' ' A' ' 125' ' ' LEU . 2.6 pp -115.4 170.06 8.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' THR . . . . . 0.459 HG22 ' CG ' ' A' ' 35' ' ' GLN . 4.5 p -87.15 167.39 14.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.149 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -52.04 -41.2 62.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -67.6 -50.94 55.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.946 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -52.93 -37.37 60.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.685 ' CE1' ' CZ ' ' A' ' 53' ' ' PHE . 4.0 t80 -55.25 -56.2 22.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -51.35 -45.01 62.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.805 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 20.4 p -75.04 -7.43 53.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -80.89 176.26 9.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.016 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -94.73 95.79 8.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -125.73 157.79 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.159 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 139' ' ' MET . 2.5 m -83.78 141.7 31.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.435 ' C ' ' O ' ' A' ' 136' ' ' SER . 97.0 m -33.4 -69.26 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.188 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -40.31 -40.62 1.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' MET . . . . . 0.442 ' N ' ' O ' ' A' ' 136' ' ' SER . 20.6 mmm -72.19 -39.91 68.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.838 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 137' ' ' THR . 3.0 mtpm? -66.11 -22.22 66.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.952 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.47 ' CD ' HG11 ' A' ' 91' ' ' VAL . 8.6 ptpt -96.11 -10.18 28.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 8.8 t -76.94 -25.59 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.49 ' CZ ' ' HG3' ' A' ' 147' ' ' GLN . 83.4 t80 -77.73 -57.19 3.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.44 ' CD ' ' HA ' ' A' ' 141' ' ' LYS . 6.9 ptm180 -46.95 -26.87 1.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.462 HG12 ' CG2' ' A' ' 104' ' ' VAL . 96.5 t -80.23 -36.6 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . 0.561 ' CE2' ' OE1' ' A' ' 147' ' ' GLN . 2.2 t80 -69.43 -32.36 71.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . 0.561 ' OE1' ' CE2' ' A' ' 146' ' ' TYR . 12.3 mm100 -89.46 -45.03 9.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -41.73 -32.53 0.91 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.519 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -93.91 107.01 18.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.832 0.348 . . . . 0.0 110.867 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 2.8 t 42.09 49.7 4.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -90.54 -93.68 1.24 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.484 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 148.83 66.06 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.755 2.303 . . . . 0.0 112.325 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 22.1 p -164.28 126.64 2.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.0 t -131.69 87.51 2.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.476 179.978 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.3 t -82.87 109.05 16.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.91 0.386 . . . . 0.0 110.857 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 t 42.38 43.98 3.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.87 60.43 0.66 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.505 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.7 m -60.81 175.96 0.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 110.874 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.0 p -160.08 127.37 4.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.16 -166.57 28.98 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 1.04 4.84 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.68 2.253 . . . . 0.0 112.312 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.3 ttm-85 -90.27 -45.96 8.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.957 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -75.12 -52.97 9.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.963 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -43.9 -58.9 2.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.077 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.8 m -158.23 172.31 18.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -88.35 23.9 2.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.2 mmtt -97.9 152.38 38.05 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.531 0.682 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 169.41 19.0 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.725 2.284 . . . . 0.0 112.302 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -25.52 28.42 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.69 2.26 . . . . 0.0 112.266 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.4 mtt180 -38.13 -59.25 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -97.02 100.21 11.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -139.31 113.48 8.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.942 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.3 m -114.87 147.3 40.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.811 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 24.4 m -155.25 153.12 30.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.853 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -117.64 109.38 16.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.088 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.5 t -102.91 139.62 38.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.164 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.471 ' SG ' ' N ' ' A' ' 25' ' ' VAL . 1.4 t -118.44 159.34 23.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.471 ' N ' ' SG ' ' A' ' 24' ' ' CYS . 69.5 t -113.55 87.74 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 27.6 tp -73.12 122.55 22.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -126.27 154.06 43.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.929 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.454 ' NE2' HG11 ' A' ' 115' ' ' VAL . 4.2 pt20 -138.63 150.7 66.89 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.628 0.728 . . . . 0.0 110.878 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 121.32 8.01 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.676 2.25 . . . . 0.0 112.312 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -114.85 147.37 18.89 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.538 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -45.87 -66.85 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.805 0.336 . . . . 0.0 111.053 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.7 mt -60.51 -39.88 89.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.958 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -167.79 -104.59 0.18 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.457 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -160.39 147.53 15.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.69 0.281 . . . . 0.0 111.174 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -132.71 158.54 42.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.6 pt -113.96 175.11 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.0 tp -101.62 149.85 23.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.966 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.454 ' CD2' ' HB3' ' A' ' 51' ' ' TRP . 10.4 tp -145.42 121.82 10.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.9 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.4 m -106.63 145.02 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.179 179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.464 ' HB2' ' CZ3' ' A' ' 51' ' ' TRP . 52.4 tt0 -100.41 158.27 16.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 49.3 mtt-85 -107.55 159.07 31.6 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.619 0.723 . . . . 0.0 110.891 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.64 151.38 69.76 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.639 2.226 . . . . 0.0 112.389 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -66.44 127.4 32.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 45' ' ' GLY . 3.2 m -166.96 158.11 12.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 44' ' ' SER . . . 36.37 -138.74 0.37 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.434 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 42.9 mt -98.3 -66.92 0.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.359 . . . . 0.0 110.881 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.84 97.06 3.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -163.77 176.5 9.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.24 3.97 48.25 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.489 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -79.51 160.92 26.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.35 . . . . 0.0 110.932 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.464 ' CZ3' ' HB2' ' A' ' 40' ' ' GLN . 97.6 m95 -98.21 131.22 44.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.424 ' CB ' ' HG3' ' A' ' 139' ' ' MET . 1.2 pm0 -158.65 148.23 19.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.601 ' CZ ' ' CE2' ' A' ' 130' ' ' PHE . 5.5 m-85 -51.05 151.23 4.79 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.689 0.757 . . . . 0.0 110.838 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 143.95 52.25 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.764 2.309 . . . . 0.0 112.306 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 75.8 p -146.52 168.5 21.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.467 HG13 ' CB ' ' A' ' 72' ' ' GLU . 5.2 m -133.45 173.49 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.044 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.5 p -55.88 143.5 31.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.196 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.546 ' CH2' ' HA ' ' A' ' 60' ' ' PRO . 80.1 t90 -60.51 164.07 4.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.954 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.445 ' N ' ' CG ' ' A' ' 58' ' ' TRP . 38.0 mm-40 -143.5 134.65 12.58 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.596 0.712 . . . . 0.0 110.895 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.546 ' HA ' ' CH2' ' A' ' 58' ' ' TRP . 54.0 Cg_endo -69.67 -21.84 33.33 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.643 2.229 . . . . 0.0 112.405 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.6 t -106.49 156.54 18.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -71.71 -36.6 70.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -73.36 -51.63 16.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.849 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.1 mp -51.05 -36.25 38.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.425 ' HA ' ' NE2' ' A' ' 65' ' ' GLN . 6.4 tp60 -62.05 -57.7 10.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.917 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -59.96 -49.19 78.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.3 mtmp? -42.82 -67.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.507 ' O ' ' N ' ' A' ' 70' ' ' LEU . . . -61.61 -55.28 32.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 68' ' ' ALA . 20.1 tp -34.84 -31.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.507 ' N ' ' O ' ' A' ' 68' ' ' ALA . 90.7 mt -90.47 -43.41 10.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 68' ' ' ALA . 5.6 pt20 -46.85 -26.54 1.0 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.467 ' CB ' HG13 ' A' ' 56' ' ' VAL . 6.6 tp10 -91.57 -46.51 7.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.6 mt -50.51 -48.88 56.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -52.19 -43.5 64.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.969 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -51.91 -32.75 33.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.446 ' O ' ' CD ' ' A' ' 119' ' ' PRO . 81.0 m95 -88.7 -67.21 0.85 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.956 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.461 ' CA ' HG21 ' A' ' 115' ' ' VAL . . . -79.19 -72.78 0.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.049 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 150.08 -100.16 0.2 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.469 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 112.6 3.13 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.684 2.256 . . . . 0.0 112.313 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -126.28 124.08 24.38 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.643 0.735 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.423 ' HG2' ' CD2' ' A' ' 107' ' ' LEU . 54.1 Cg_endo -69.71 168.75 20.6 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.622 2.215 . . . . 0.0 112.338 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -113.69 -52.21 2.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.25 -32.35 72.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -60.9 -36.22 78.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 21.7 tp -59.77 153.18 21.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 28.1 ptt-85 -167.31 157.79 11.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.84 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -93.4 117.33 29.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.823 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 16.7 mt -122.2 91.89 3.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.72 -175.91 21.46 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.477 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -149.47 169.35 21.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.859 0.361 . . . . 0.0 110.916 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.462 HG22 ' CG2' ' A' ' 104' ' ' VAL . 87.0 t -141.69 107.87 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.122 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 27.5 t -113.66 107.08 22.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.145 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.686 ' CD2' ' CE1' ' A' ' 95' ' ' PHE . 9.7 t60 -101.61 157.27 16.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.834 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.576 ' N ' ' CD2' ' A' ' 93' ' ' HIS . 19.3 m -126.84 123.89 38.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.188 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.686 ' CE1' ' CD2' ' A' ' 93' ' ' HIS . 29.1 m-85 -107.73 -179.85 4.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.539 ' O ' ' N ' ' A' ' 98' ' ' ILE . 5.6 m -48.25 125.38 9.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.587 ' CG ' ' O ' ' A' ' 97' ' ' HIS . 0.7 OUTLIER 34.62 30.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.851 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.539 ' N ' ' O ' ' A' ' 96' ' ' SER . 52.3 mt -146.0 157.62 12.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.155 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.465 ' HD2' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -139.78 130.69 26.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.825 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.465 ' N ' ' HD2' ' A' ' 99' ' ' LYS . 3.6 mm? -115.58 152.73 32.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.95 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 96.0 m -135.38 111.4 9.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.128 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -110.09 134.39 52.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 51.5 mm-40 -102.32 115.71 31.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.925 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.462 ' CG2' HG22 ' A' ' 91' ' ' VAL . 51.8 t -71.72 127.04 33.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.068 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -139.18 121.61 16.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -97.17 140.74 15.22 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.47 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.433 ' C ' ' CD1' ' A' ' 107' ' ' LEU . 2.1 tm? -155.09 119.3 4.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.797 0.332 . . . . 0.0 110.925 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -126.05 156.7 39.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 26.1 mt -91.44 128.37 37.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -72.67 -61.9 1.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 167.79 73.3 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.489 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 62.5 mm-40 -126.31 -64.5 1.03 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.924 0.392 . . . . 0.0 110.899 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 5.2 p -150.49 128.37 5.77 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-O 121.56 0.695 . . . . 0.0 111.076 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 173.06 11.49 Favored 'Trans proline' 0 N--CA 1.464 -0.209 0 C-N-CA 122.72 2.28 . . . . 0.0 112.356 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.57 HG12 ' CZ2' ' A' ' 124' ' ' TRP . 7.2 p -120.39 44.93 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.177 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.64 -4.52 0.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.176 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.447 ' H ' ' C ' ' A' ' 115' ' ' VAL . 6.9 m -110.65 109.01 19.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.476 ' CG2' ' HD2' ' A' ' 119' ' ' PRO . 13.1 p -124.75 136.71 28.3 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.677 0.751 . . . . 0.0 111.155 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 118' ' ' VAL . 53.8 Cg_endo -69.75 167.43 24.44 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.705 2.27 . . . . 0.0 112.292 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 108.44 2.07 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.669 2.246 . . . . 0.0 112.341 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 134.26 -13.41 4.62 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.561 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -110.52 152.59 26.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.709 0.29 . . . . 0.0 111.174 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 11.6 ttm-85 -134.68 149.75 50.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.826 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' TRP . . . . . 0.57 ' CZ2' HG12 ' A' ' 115' ' ' VAL . 45.0 m95 -119.0 108.33 14.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.424 HD11 ' C ' ' A' ' 125' ' ' LEU . 1.6 pp -121.97 169.84 10.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 10.7 p -82.37 167.94 18.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -63.22 -34.86 78.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -75.71 -18.27 59.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -81.36 -49.1 11.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.847 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.601 ' CE2' ' CZ ' ' A' ' 53' ' ' PHE . 15.0 t80 -46.28 -40.21 11.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.825 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -58.74 -41.42 86.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 28.7 p -84.74 -18.07 36.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.079 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -67.24 170.29 7.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.081 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -92.68 97.03 10.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.091 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.551 HG22 ' CE2' ' A' ' 130' ' ' PHE . 1.1 t -123.09 154.74 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 137' ' ' THR . 27.2 t -78.09 138.36 38.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.444 ' C ' ' O ' ' A' ' 136' ' ' SER . 32.2 m -34.4 -69.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.148 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 137' ' ' THR . . . -35.21 -47.59 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.092 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' MET . . . . . 0.424 ' HG3' ' CB ' ' A' ' 52' ' ' GLU . 34.4 mmm -67.61 -48.31 67.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 11.7 mtpt -56.53 -17.56 8.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -91.03 -18.54 24.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 71.2 t -76.73 -44.43 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.147 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.417 ' CZ ' ' CD ' ' A' ' 147' ' ' GLN . 37.5 t80 -56.38 -55.14 37.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -53.18 -35.72 60.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 75.4 t -72.64 -27.78 26.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.196 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -78.68 -46.41 19.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.918 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . 0.417 ' CD ' ' CZ ' ' A' ' 143' ' ' PHE . 20.7 mt-30 -52.34 -44.6 65.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -40.71 -52.16 3.86 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.527 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -95.67 93.78 7.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.827 0.346 . . . . 0.0 110.904 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 12.0 t -146.9 176.5 9.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -66.43 175.93 19.93 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.438 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 153' ' ' SER . 53.4 Cg_endo -69.8 -8.54 23.86 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.638 2.225 . . . . 0.0 112.343 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 152' ' ' PRO . 7.5 m -34.6 147.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 30.5 t -144.12 125.38 14.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.509 -179.975 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.539 -0.225 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.6 t -83.77 109.03 17.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.896 0.379 . . . . 0.0 110.88 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.9 p -94.67 164.59 12.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.883 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.42 80.98 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.469 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.7 t -115.83 119.43 35.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.011 0.434 . . . . 0.0 110.864 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 t -152.73 139.3 18.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.87 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.15 -169.49 42.24 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.467 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -50.02 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.658 2.238 . . . . 0.0 112.322 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.3 mtp180 -127.94 152.37 47.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -55.76 123.85 15.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 70.89 42.17 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.146 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.9 t -117.91 148.87 41.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -110.56 -42.75 4.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.818 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -82.54 151.41 65.16 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.531 0.681 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 169.56 18.55 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.704 2.27 . . . . 0.0 112.3 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.5 Cg_endo -69.76 -26.43 27.56 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.763 2.309 . . . . 0.0 112.286 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 16' ' ' PRO . 18.4 mtm180 -37.85 -37.82 0.26 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -107.3 100.19 9.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.441 ' CB ' HD11 ' A' ' 100' ' ' LEU . 10.9 mt-10 -143.59 113.62 7.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.4 m -124.93 138.41 54.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.808 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.0 m -155.75 156.43 34.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -122.88 108.05 12.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.068 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.471 ' CG2' HG13 ' A' ' 142' ' ' VAL . 14.5 t -96.31 149.19 21.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.9 t -124.8 151.2 45.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.481 HG12 ' CD2' ' A' ' 146' ' ' TYR . 93.4 t -101.71 113.42 37.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 61.0 tp -98.43 104.03 16.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -116.7 142.25 47.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -130.18 147.77 67.07 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.611 0.72 . . . . 0.0 110.954 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 121.37 8.06 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.685 2.256 . . . . 0.0 112.319 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -114.84 170.34 13.22 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.458 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.84 -52.14 66.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.842 0.353 . . . . 0.0 111.14 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 84.8 mt -68.96 -42.76 76.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.1 -94.38 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -148.09 163.29 37.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.694 0.283 . . . . 0.0 111.148 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -151.51 138.36 18.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.7 pt -100.7 175.67 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.122 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.9 tp -108.74 142.73 38.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.458 ' CD2' ' HB3' ' A' ' 51' ' ' TRP . 8.3 tp -136.14 137.88 41.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.568 HG11 ' CE3' ' A' ' 76' ' ' TRP . 27.7 m -131.09 139.49 50.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.144 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -70.48 156.22 39.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -95.08 153.93 39.7 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.661 0.743 . . . . 0.0 110.83 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 160.35 50.0 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.613 2.209 . . . . 0.0 112.361 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -72.01 89.12 1.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.0 m -173.31 123.81 0.39 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.74 164.32 38.96 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.436 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.417 ' CD2' ' H ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -58.52 157.03 9.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.815 0.341 . . . . 0.0 110.963 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.8 mp 53.53 49.98 18.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -87.63 139.63 30.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.048 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 88.73 46.99 4.38 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.471 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.453 ' N ' HD21 ' A' ' 50' ' ' LEU . 2.5 mm? -123.95 149.71 45.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.791 0.329 . . . . 0.0 110.902 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.458 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 57.9 m95 -75.79 108.65 8.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.416 ' C ' HD13 ' A' ' 38' ' ' LEU . 0.7 OUTLIER -132.82 160.4 37.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.701 ' CZ ' ' CE2' ' A' ' 130' ' ' PHE . 25.1 m-85 -67.04 145.5 98.87 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.573 0.701 . . . . 0.0 110.965 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 139.66 40.73 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.625 2.216 . . . . 0.0 112.377 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 65.2 p -146.69 172.04 14.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.8 m -129.33 178.66 4.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.5 t -65.09 145.8 55.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 76.6 t90 -56.26 153.88 8.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.974 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -138.22 130.6 16.17 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.613 0.721 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -27.48 26.26 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.59 2.193 . . . . 0.0 112.355 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.6 m -94.06 150.28 20.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -68.86 -35.46 76.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -77.95 -57.42 3.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.964 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.8 mp -41.07 -42.46 1.97 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.95 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.444 ' HA ' ' NE2' ' A' ' 65' ' ' GLN . 0.0 OUTLIER -56.92 -54.0 51.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.893 179.919 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.452 ' NH2' ' O ' ' A' ' 85' ' ' LEU . 60.7 mtp180 -67.1 -32.25 73.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 56.6 mttt -58.2 -55.58 33.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 71' ' ' GLN . . . -74.0 -48.35 30.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.12 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 68' ' ' ALA . 53.2 tp -33.71 -36.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 68' ' ' ALA . 94.8 mt -85.65 -44.35 12.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.846 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 68' ' ' ALA . 0.1 OUTLIER -40.96 -31.36 0.17 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -85.42 -54.38 4.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.82 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.9 mt -42.79 -52.61 4.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -49.66 -43.17 46.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 53.2 mtp85 -55.43 -27.5 48.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.568 ' CE3' HG11 ' A' ' 39' ' ' VAL . 89.2 m95 -90.6 -69.09 0.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -79.21 -73.46 0.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.106 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 156.62 -106.69 0.3 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.464 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 115.47 4.11 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.62 2.213 . . . . 0.0 112.372 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -128.2 127.67 23.75 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.635 0.731 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -172.92 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.674 2.25 . . . . 0.0 112.384 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -131.47 -56.02 1.02 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.057 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 40.0 p -59.17 -23.38 62.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 4.2 m170 -72.59 -40.32 66.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.846 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.452 ' O ' ' NH2' ' A' ' 66' ' ' ARG . 56.4 tp -57.64 128.49 37.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.962 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 46.7 mtt85 -145.55 128.14 16.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.458 ' HB2' ' CE1' ' A' ' 105' ' ' TYR . 18.0 t-80 -70.14 122.07 18.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 30.5 mt -121.96 94.25 4.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.946 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.444 ' O ' ' NE2' ' A' ' 87' ' ' HIS . . . 69.27 -172.8 37.27 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.516 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -144.58 171.1 14.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.865 0.364 . . . . 0.0 110.901 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.493 HG12 ' CG ' ' A' ' 141' ' ' LYS . 52.2 t -143.34 109.24 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.138 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 44.5 t -120.79 108.93 23.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 63.3 t60 -101.17 115.13 29.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.1 p -87.3 109.82 19.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.52 ' CD2' HD21 ' A' ' 100' ' ' LEU . 80.2 m-85 -82.1 175.41 10.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 18.8 m -44.53 -75.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -113.59 24.82 11.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.479 HG22 ' CD2' ' A' ' 100' ' ' LEU . 18.2 mt -139.58 150.61 22.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.161 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -124.93 117.9 25.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.917 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.52 HD21 ' CD2' ' A' ' 95' ' ' PHE . 3.8 mm? -108.8 140.49 42.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 27.7 m -130.08 107.43 9.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.089 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -106.45 133.96 50.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -100.58 118.19 36.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.457 ' CG2' HG22 ' A' ' 91' ' ' VAL . 58.0 t -75.24 121.79 27.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.124 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.458 ' CE1' ' HB2' ' A' ' 87' ' ' HIS . 19.2 m-85 -132.17 106.75 8.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -79.53 146.76 29.04 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.483 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.415 HD13 ' C ' ' A' ' 107' ' ' LEU . 2.2 tm? -166.05 115.67 0.98 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.789 0.328 . . . . 0.0 110.889 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -136.92 155.39 49.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 84.9 mt -92.42 101.58 14.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -70.36 -48.77 54.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -156.41 42.48 0.55 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.514 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -103.38 -176.11 2.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.77 0.319 . . . . 0.0 110.947 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 82.5 p -72.33 136.89 81.26 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.591 0.71 . . . . 0.0 111.098 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 167.57 24.11 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.67 2.247 . . . . 0.0 112.342 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.402 HG13 ' N ' ' A' ' 116' ' ' THR . 5.5 p -98.56 -42.63 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.081 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.402 ' N ' HG13 ' A' ' 115' ' ' VAL . 29.4 p 39.36 41.43 0.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.106 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 9.7 t -165.47 155.22 12.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.45 ' CG2' ' HD2' ' A' ' 119' ' ' PRO . 13.5 p -175.71 135.99 0.49 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.577 0.703 . . . . 0.0 111.169 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.45 ' HD2' ' CG2' ' A' ' 118' ' ' VAL . 53.6 Cg_endo -69.68 170.06 17.35 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.702 2.268 . . . . 0.0 112.395 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 1.92 4.0 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.719 2.28 . . . . 0.0 112.33 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -114.06 14.97 21.23 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.449 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -142.95 147.26 34.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.742 0.306 . . . . 0.0 111.074 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.471 ' NE ' HD21 ' A' ' 125' ' ' LEU . 15.0 ptt180 -136.57 149.28 48.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 36.5 m95 -109.51 113.12 25.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.471 HD21 ' NE ' ' A' ' 123' ' ' ARG . 1.5 pp -130.95 169.98 15.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.991 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 26.1 p -80.3 159.66 25.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.135 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.437 ' OE1' ' NE2' ' A' ' 147' ' ' GLN . 18.5 mt-30 -54.5 -37.6 65.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -68.02 -50.41 55.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -53.59 -36.62 62.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.701 ' CE2' ' CZ ' ' A' ' 53' ' ' PHE . 6.6 t80 -62.28 -53.9 48.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -40.06 -48.13 2.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.838 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 72.9 p -74.31 -37.49 63.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.12 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -47.65 145.6 2.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.136 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.442 ' CB ' HD11 ' A' ' 50' ' ' LEU . . . -65.75 100.62 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.004 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.429 HG22 ' C ' ' A' ' 134' ' ' ALA . 1.7 t -136.41 152.15 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.168 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 22.7 t -64.77 161.28 18.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.804 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 52.2 m -53.65 -55.92 21.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.111 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 142' ' ' VAL . . . -50.68 -63.75 1.03 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' MET . . . . . 0.414 ' HB2' ' CG1' ' A' ' 135' ' ' VAL . 29.5 mmm -46.54 -36.51 6.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -71.82 -44.1 64.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.493 ' CG ' HG12 ' A' ' 91' ' ' VAL . 3.3 ptmm? -81.02 -9.56 59.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.471 HG13 ' CG2' ' A' ' 23' ' ' THR . 5.1 t -77.56 -23.84 14.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.505 ' O ' ' N ' ' A' ' 146' ' ' TYR . 66.3 t80 -76.36 -66.28 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 143' ' ' PHE . 5.6 ptm180 -38.27 -28.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.472 ' N ' ' O ' ' A' ' 143' ' ' PHE . 99.4 t -76.68 -42.38 34.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . 0.505 ' N ' ' O ' ' A' ' 143' ' ' PHE . 1.6 t80 -58.98 -54.86 42.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . 0.446 ' O ' ' C ' ' A' ' 148' ' ' GLY . 33.2 mm-40 -61.05 -41.95 97.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.879 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 147' ' ' GLN . . . -33.97 -53.4 0.69 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.509 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 25.9 mm100 -95.76 43.36 1.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 0.0 110.95 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 147' ' ' GLN . 35.2 t -174.73 119.4 0.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -165.35 157.24 29.64 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.485 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.79 -173.52 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.659 2.239 . . . . 0.0 112.304 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 1.2 t -81.4 104.93 12.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 53.6 p -108.04 163.42 13.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.872 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.471 179.992 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.474 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.155 0 CA-C-O 120.831 0.263 . . . . 0.0 112.381 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.474 ' C ' ' O ' ' A' ' 16' ' ' PRO . 61.8 mtt180 -32.15 -53.98 0.3 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.831 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -97.14 100.24 11.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -139.82 113.47 8.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.4 m -121.73 140.4 52.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.801 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.1 m -150.45 153.12 35.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.893 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.504 ' CB ' ' CD ' ' A' ' 65' ' ' GLN . . . -118.03 105.06 11.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.9 t -97.56 148.61 23.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.639 ' HB2' HD11 ' A' ' 69' ' ' LEU . 52.8 t -129.06 153.81 47.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.585 HG11 ' CE2' ' A' ' 146' ' ' TYR . 48.6 t -109.39 115.4 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.116 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 30.1 tp -98.85 127.64 44.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.522 ' HB2' HG22 ' A' ' 36' ' ' ILE . 19.8 tt0 -134.55 148.77 50.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.501 ' HG2' ' CZ3' ' A' ' 124' ' ' TRP . 7.9 pt20 -142.86 148.04 44.21 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.662 0.744 . . . . 0.0 110.854 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 139.43 40.1 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.792 2.328 . . . . 0.0 112.319 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -144.72 175.77 24.21 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.451 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -43.83 -59.67 2.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.821 0.343 . . . . 0.0 111.138 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 24.8 mt -56.58 -49.23 75.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.72 -64.97 0.14 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -170.04 125.02 0.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.806 0.336 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.08 146.97 44.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.522 HG22 ' HB2' ' A' ' 27' ' ' GLU . 5.3 pt -98.82 174.37 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.554 HD11 ' HB1' ' A' ' 122' ' ' ALA . 6.9 tp -107.59 148.45 29.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.8 HD22 HD21 ' A' ' 125' ' ' LEU . 10.5 tp -143.16 120.84 11.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.6 m -108.45 152.23 10.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -114.95 143.98 44.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? . . . . . 0 C--N 1.33 -0.267 0 CA-C-O 121.639 0.733 . . . . 0.0 110.834 -179.869 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.793 0.33 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.539 ' O ' HG13 ' A' ' 135' ' ' VAL . 87.6 m95 -96.63 134.28 40.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.453 ' HA ' HD11 ' A' ' 38' ' ' LEU . 4.5 pt-20 -170.45 154.6 4.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.932 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.557 ' CZ ' ' CE1' ' A' ' 130' ' ' PHE . 7.7 m-85 -55.32 150.95 20.51 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.641 0.734 . . . . 0.0 110.841 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 144.12 52.87 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.717 2.278 . . . . 0.0 112.288 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.1 p -145.49 169.03 19.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.449 ' CG2' HE22 ' A' ' 65' ' ' GLN . 4.8 m -135.94 170.13 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.4 t -54.82 158.41 2.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 85.3 t90 -79.26 140.13 37.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.406 ' HB2' ' CA ' ' A' ' 65' ' ' GLN . 8.5 mm-40 -122.14 138.57 29.09 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.672 0.748 . . . . 0.0 110.849 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 -34.02 15.74 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.667 2.245 . . . . 0.0 112.339 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.8 t -89.57 132.87 34.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.89 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -57.9 -16.63 12.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.958 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -92.54 -49.48 6.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.5 mp -53.9 -37.15 63.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.504 ' CD ' ' CB ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -62.82 -57.17 11.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 -58.74 -45.32 89.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -51.32 -67.03 0.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.88 -38.22 84.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.071 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.639 HD11 ' HB2' ' A' ' 24' ' ' CYS . 24.5 tp -48.94 -41.09 32.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 71' ' ' GLN . 78.3 mt -74.22 -47.91 32.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 70' ' ' LEU . 10.3 mt-30 -36.49 -53.92 0.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.421 ' HB2' HG12 ' A' ' 56' ' ' VAL . 17.8 tp10 -57.93 -55.8 30.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 18.7 mt -45.95 -48.95 16.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -53.5 -41.92 66.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.974 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -50.72 -33.75 24.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.445 ' CE3' ' HB2' ' A' ' 122' ' ' ALA . 72.0 m95 -87.24 -71.57 0.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.943 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.98 -70.99 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.045 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 145.5 -99.43 0.21 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.48 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.426 ' C ' HD22 ' A' ' 80' ' ' LEU . 53.9 Cg_endo -69.69 108.76 2.14 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.722 2.281 . . . . 0.0 112.374 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.426 HD22 ' C ' ' A' ' 79' ' ' PRO . 4.5 mm? -121.52 134.55 24.59 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.576 0.703 . . . . 0.0 110.96 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.787 ' HG2' HD21 ' A' ' 107' ' ' LEU . 54.0 Cg_endo -69.75 -179.82 3.17 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.715 2.276 . . . . 0.0 112.316 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -125.94 -54.09 1.52 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.003 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 56.1 m -64.58 -31.23 72.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.182 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -64.48 -20.97 66.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.531 HD21 HD23 ' A' ' 69' ' ' LEU . 33.4 tp -73.59 133.24 43.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 -152.71 133.93 14.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.588 ' C ' HD23 ' A' ' 88' ' ' LEU . 6.3 t-80 -73.9 125.7 28.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.588 HD23 ' C ' ' A' ' 87' ' ' HIS . 1.9 mt -123.59 94.13 4.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 62.21 -169.09 14.48 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.547 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -147.71 170.36 17.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.912 0.387 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 32.0 t -139.34 108.7 3.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.174 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.467 HG22 ' HA ' ' A' ' 101' ' ' THR . 42.9 t -118.86 108.79 24.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.073 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 43.5 t60 -99.17 129.57 45.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.36 112.7 24.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.185 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -84.72 -175.07 5.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.4 m -50.98 -64.49 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.85 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.517 ' O ' ' CG ' ' A' ' 97' ' ' HIS . 0.4 OUTLIER -128.17 31.35 5.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.808 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.526 ' CG2' ' N ' ' A' ' 99' ' ' LYS . 18.7 mt -138.99 159.39 29.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.153 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.526 ' N ' ' CG2' ' A' ' 98' ' ' ILE . 2.2 tmtt? -135.12 118.37 16.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -110.03 143.21 40.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.467 ' HA ' HG22 ' A' ' 92' ' ' VAL . 21.8 m -127.92 100.69 6.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.133 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -100.86 131.97 46.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.905 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -98.9 112.62 24.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.932 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.601 HG22 HG13 ' A' ' 142' ' ' VAL . 47.9 t -70.66 127.63 32.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.188 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.442 ' CE1' ' HB2' ' A' ' 87' ' ' HIS . 14.8 m-85 -134.35 135.83 42.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -112.23 137.07 14.0 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.452 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.787 HD21 ' HG2' ' A' ' 81' ' ' PRO . 1.8 tm? -152.0 114.25 4.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.875 0.369 . . . . 0.0 110.942 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.493 ' N ' HD13 ' A' ' 107' ' ' LEU . . . -133.5 151.93 51.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.035 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 43.7 mt -93.54 103.41 15.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.958 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.83 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.159 0 CA-C-O 120.831 0.263 . . . . 0.0 112.333 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.3 p -109.26 -36.82 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.9 p 40.5 31.91 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.095 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 95.8 m -155.43 143.16 19.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.115 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.591 HG22 ' HB3' ' A' ' 122' ' ' ALA . 6.1 p -171.88 136.2 0.92 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.655 0.74 . . . . 0.0 111.118 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 118' ' ' VAL . 53.7 Cg_endo -69.81 169.89 17.92 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.722 2.282 . . . . 0.0 112.354 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 1.24 4.58 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.67 2.247 . . . . 0.0 112.35 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -107.77 1.07 34.03 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.499 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.591 ' HB3' HG22 ' A' ' 118' ' ' VAL . . . -133.53 138.79 46.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.78 0.324 . . . . 0.0 111.093 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.429 ' NH1' ' HB2' ' A' ' 123' ' ' ARG . 0.5 OUTLIER -126.56 141.12 51.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.826 -179.917 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 124' ' ' TRP . . . . . 0.501 ' CZ3' ' HG2' ' A' ' 28' ' ' GLN . 46.1 m95 -99.05 106.27 18.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.8 HD21 HD22 ' A' ' 38' ' ' LEU . 2.5 pp -117.35 169.9 9.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 5.8 p -87.44 -179.44 6.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -66.49 -43.69 84.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -73.5 -22.77 60.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -77.38 -34.24 54.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.659 ' O ' ' HB3' ' A' ' 133' ' ' ALA . 13.2 t80 -61.29 -55.21 34.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -44.05 -61.49 1.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.851 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 71.4 p -56.5 -19.07 13.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.106 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.659 ' HB3' ' O ' ' A' ' 130' ' ' PHE . . . -72.67 142.53 48.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.144 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.89 99.04 0.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.046 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.683 HG12 ' HB2' ' A' ' 139' ' ' MET . 1.1 t -126.81 140.92 47.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.184 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 137' ' ' THR . 3.5 p -68.3 140.1 55.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.489 HG22 ' HD2' ' A' ' 141' ' ' LYS . 44.1 m -34.9 -60.38 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.091 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 137' ' ' THR . . . -36.02 -58.65 0.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 139' ' ' MET . . . . . 0.683 ' HB2' HG12 ' A' ' 135' ' ' VAL . 44.1 mmm -61.25 -52.87 62.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -49.02 -23.07 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.81 ' O ' HG23 ' A' ' 145' ' ' VAL . 21.6 mtpp -84.14 -33.79 24.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.834 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.601 HG13 HG22 ' A' ' 104' ' ' VAL . 90.5 t -64.72 -34.12 67.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.145 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.52 ' CE2' ' CD ' ' A' ' 147' ' ' GLN . 85.8 t80 -62.86 -65.65 0.66 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.835 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -44.4 -33.07 1.54 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 141' ' ' LYS . 41.0 t -74.04 -43.34 51.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 146' ' ' TYR . . . . . 0.585 ' CE2' HG11 ' A' ' 25' ' ' VAL . 3.9 t80 -65.12 -31.34 72.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 147' ' ' GLN . . . . . 0.52 ' CD ' ' CE2' ' A' ' 143' ' ' PHE . 60.4 mt-30 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.178 0 CA-C-O 120.755 0.231 . . . . 0.0 112.315 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 16' ' ' PRO . 23.7 mtp180 -34.75 -69.6 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.835 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -79.57 100.22 7.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -145.57 113.36 6.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.435 ' OG ' ' CB ' ' A' ' 58' ' ' TRP . 41.5 p -115.39 151.46 34.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.505 ' OG ' ' CE1' ' A' ' 102' ' ' TYR . 15.8 p -156.81 155.76 32.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.815 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -125.18 106.27 9.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.464 HG21 HG21 ' A' ' 142' ' ' VAL . 8.9 t -103.56 147.05 27.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.558 ' HB2' HD21 ' A' ' 69' ' ' LEU . 7.9 t -131.6 155.76 46.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 84.3 t -103.46 123.5 57.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.046 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.602 HD13 HD11 ' A' ' 80' ' ' LEU . 34.6 tp -108.91 109.22 20.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.956 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -119.16 145.16 46.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.805 ' HG2' HD12 ' A' ' 109' ' ' LEU . 79.6 mt-30 -138.11 141.41 32.08 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.611 0.719 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 120.41 7.21 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.635 2.223 . . . . 0.0 112.349 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -123.65 165.3 16.47 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.472 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.58 -56.57 2.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.852 0.358 . . . . 0.0 111.075 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.6 mt -57.69 -36.04 71.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 159.75 -71.73 0.23 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.543 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -172.99 139.36 0.83 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.848 0.356 . . . . 0.0 111.088 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -136.34 154.41 50.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.6 pt -104.52 172.48 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.486 HD22 HD23 ' A' ' 26' ' ' LEU . 4.3 tp -107.36 137.16 45.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.567 HD22 HD21 ' A' ' 125' ' ' LEU . 12.0 tp -128.65 121.71 29.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.433 HG11 ' CE2' ' A' ' 76' ' ' TRP . 20.4 m -104.63 137.05 35.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -95.15 149.03 21.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.889 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 121.531 0.681 . . . . 0.0 110.892 -179.939 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.722 0.296 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.508 ' CZ3' ' HG2' ' A' ' 123' ' ' ARG . 90.7 m95 -91.43 140.97 29.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.893 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -172.01 176.43 3.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.858 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.403 ' CD1' ' CD1' ' A' ' 38' ' ' LEU . 21.5 m-85 -78.73 152.21 77.48 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.572 0.701 . . . . 0.0 110.883 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 142.98 49.5 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 122.653 2.235 . . . . 0.0 112.295 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.7 p -142.85 150.5 39.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.821 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.5 m -117.94 -176.93 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.21 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.9 p -71.53 133.12 45.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.435 ' CB ' ' OG ' ' A' ' 20' ' ' SER . 83.8 t90 -52.25 155.47 1.99 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -141.24 133.61 14.06 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.598 0.713 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -10.6 28.95 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.664 2.243 . . . . 0.0 112.328 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.536 ' CB ' HD22 ' A' ' 64' ' ' LEU . 2.6 t -119.42 128.13 53.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.814 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -51.11 -33.77 27.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -73.19 -53.38 11.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.937 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.536 HD22 ' CB ' ' A' ' 61' ' ' SER . 0.9 OUTLIER -50.59 -32.48 18.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -71.03 -60.05 2.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.952 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.555 ' HB3' HD23 ' A' ' 85' ' ' LEU . 36.5 mtm180 -59.59 -19.36 48.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -75.52 -60.84 2.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.835 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.63 -27.57 63.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.07 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.731 HD23 HD21 ' A' ' 85' ' ' LEU . 14.0 tp -50.13 -56.46 10.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.713 HD22 ' HB3' ' A' ' 80' ' ' LEU . 73.8 mt -60.95 -46.75 89.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.958 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -38.97 -44.28 1.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -73.26 -50.26 23.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.853 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 47.8 mt -49.18 -51.43 32.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -48.66 -38.22 20.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.947 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -57.29 -32.74 66.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.825 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.433 ' CE2' HG11 ' A' ' 39' ' ' VAL . 70.2 m95 -87.29 -69.4 0.69 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.921 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -79.67 -71.18 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.113 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 147.84 -98.51 0.19 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.47 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.426 ' O ' HD22 ' A' ' 80' ' ' LEU . 53.7 Cg_endo -69.75 106.86 1.73 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.754 2.303 . . . . 0.0 112.285 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.713 ' HB3' HD22 ' A' ' 70' ' ' LEU . 4.4 mm? -123.27 120.27 27.27 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.59 0.709 . . . . 0.0 110.866 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.474 ' HG2' HD21 ' A' ' 107' ' ' LEU . 53.9 Cg_endo -69.74 167.5 24.23 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.729 2.286 . . . . 0.0 112.281 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -101.35 -70.06 0.76 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 79.5 p -43.91 -49.94 8.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -43.72 -41.67 4.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.731 HD21 HD23 ' A' ' 69' ' ' LEU . 22.9 tp -59.22 131.21 50.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 32.2 mtm180 -147.66 147.78 30.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -87.37 115.97 25.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.5 mt -117.31 95.73 5.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 61.33 -171.99 7.8 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.486 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -145.43 171.0 15.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.957 0.408 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.427 HG23 ' CG2' ' A' ' 104' ' ' VAL . 47.9 t -141.24 105.25 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.645 HG13 ' O ' ' A' ' 100' ' ' LEU . 97.8 t -120.14 109.33 25.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -98.89 121.86 41.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 30.7 m -90.59 111.17 22.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -85.11 -177.25 6.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 53.1 m -49.09 -72.52 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.825 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 32.9 p80 -117.63 17.89 14.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.816 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.423 HG22 ' N ' ' A' ' 99' ' ' LYS . 24.6 mt -129.48 152.92 37.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.568 ' HE2' HG11 ' A' ' 92' ' ' VAL . 2.2 tmtt? -133.14 118.16 18.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.645 ' O ' HG13 ' A' ' 92' ' ' VAL . 4.1 mm? -105.88 144.93 31.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.871 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.411 ' HA ' HG22 ' A' ' 92' ' ' VAL . 85.7 m -131.16 104.34 7.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.505 ' CE1' ' OG ' ' A' ' 21' ' ' SER . 65.9 m-85 -106.61 130.24 54.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.957 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -94.01 111.07 22.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.427 ' CG2' HG23 ' A' ' 91' ' ' VAL . 90.2 t -70.37 123.04 23.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.055 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -130.53 138.42 50.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.933 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -109.48 132.75 11.23 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.469 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.576 ' C ' HD13 ' A' ' 107' ' ' LEU . 2.4 tm? -145.61 106.37 4.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.802 0.334 . . . . 0.0 110.947 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -130.34 144.2 51.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.094 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.805 HD12 ' HG2' ' A' ' 28' ' ' GLN . 60.9 mt -85.4 105.25 15.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.933 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 179.961 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.14 0 CA-C-O 120.848 0.27 . . . . 0.0 112.302 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 6.8 p -97.59 -33.5 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.7 p 38.94 37.12 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.157 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 18.9 m -165.76 154.8 11.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.607 ' CG2' ' HB3' ' A' ' 122' ' ' ALA . 9.2 p -167.46 137.38 2.28 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.674 0.749 . . . . 0.0 111.109 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.568 ' HD2' HG23 ' A' ' 118' ' ' VAL . 54.2 Cg_endo -69.81 166.4 27.77 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.704 2.269 . . . . 0.0 112.362 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.65 100.3 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.73 2.286 . . . . 0.0 112.371 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 142.27 -13.69 2.54 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.47 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.607 ' HB3' ' CG2' ' A' ' 118' ' ' VAL . . . -114.41 155.4 26.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.815 0.341 . . . . 0.0 111.106 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.508 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 1.8 ptp180 -139.4 141.85 37.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.858 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 24.0 m95 -101.85 110.01 21.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.567 HD21 HD22 ' A' ' 38' ' ' LEU . 2.3 pp -124.81 169.71 11.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 11.1 p -84.32 177.01 8.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -66.19 -30.66 71.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -79.19 -48.41 14.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -56.55 -20.77 22.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.809 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.504 ' CE1' HG21 ' A' ' 135' ' ' VAL . 27.5 t80 -72.05 -63.49 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' HIS . . . . . 0.41 ' C ' ' O ' ' A' ' 130' ' ' PHE . 3.6 m-70 -36.85 -46.82 0.65 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 81.3 p -67.38 -47.81 69.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.126 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.441 ' O ' HG23 ' A' ' 135' ' ' VAL . . . -45.04 155.11 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.096 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -72.68 102.92 3.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.152 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.712 HG12 ' HB2' ' A' ' 139' ' ' MET . 1.1 t -131.02 148.07 33.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.196 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 40.3 t -76.66 152.34 35.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.0 0.429 . . . . 0.0 110.797 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.659 HG22 ' HD2' ' A' ' 141' ' ' LYS . 25.4 m -42.25 -67.77 0.24 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.167 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 137' ' ' THR . . . -37.57 -58.83 0.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' MET . . . . . 0.712 ' HB2' HG12 ' A' ' 135' ' ' VAL . 47.8 mmm -54.09 -56.26 19.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 17.0 mtpt -48.56 -30.62 5.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.968 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.659 ' HD2' HG22 ' A' ' 137' ' ' THR . 17.9 mtpt -77.2 -28.59 53.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.464 HG21 HG21 ' A' ' 23' ' ' THR . 18.7 t -64.89 -15.91 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -83.94 -53.68 5.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.417 ' NH1' ' HB2' ' A' ' 144' ' ' ARG . 0.4 OUTLIER -60.35 -19.58 56.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.904 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 141' ' ' LYS . 69.9 t -86.05 -27.15 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -76.3 -36.28 58.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.94 -179.951 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.14 0 CA-C-O 120.782 0.243 . . . . 0.0 112.389 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 16' ' ' PRO . 36.1 mtp180 -35.34 -50.5 0.56 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.842 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -96.92 100.15 11.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -140.45 113.55 8.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.8 m -123.87 139.34 54.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.2 m -154.38 152.99 30.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.817 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.437 ' CB ' ' OE1' ' A' ' 65' ' ' GLN . . . -116.67 111.86 20.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.083 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.429 HG23 HG11 ' A' ' 142' ' ' VAL . 14.0 t -104.03 149.44 25.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.693 ' HB2' HD21 ' A' ' 69' ' ' LEU . 1.5 t -128.78 159.3 36.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.85 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.472 ' N ' ' SG ' ' A' ' 24' ' ' CYS . 62.3 t -110.28 101.33 12.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.152 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.632 HD13 HD11 ' A' ' 80' ' ' LEU . 19.2 tp -87.27 120.0 28.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.488 ' OE1' ' NE2' ' A' ' 127' ' ' GLN . 29.0 tt0 -128.59 137.93 51.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -120.26 143.82 36.62 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.627 0.727 . . . . 0.0 110.944 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 118.42 5.67 Favored 'Trans proline' 0 N--CA 1.466 -0.11 0 C-N-CA 122.75 2.3 . . . . 0.0 112.332 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -116.83 175.71 15.86 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.529 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.87 -62.5 1.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.822 0.344 . . . . 0.0 111.114 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.2 mt -51.99 -44.07 63.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.45 -75.55 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.444 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -170.91 148.01 2.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.668 0.27 . . . . 0.0 111.179 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -135.95 150.44 49.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.423 HD11 ' HA ' ' A' ' 127' ' ' GLN . 2.8 pt -104.3 177.12 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.502 HD22 HD23 ' A' ' 26' ' ' LEU . 18.8 tp -109.28 145.84 35.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.413 ' CD1' ' CD1' ' A' ' 53' ' ' PHE . 10.2 tp -143.0 126.69 16.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.445 HG11 ' CE2' ' A' ' 76' ' ' TRP . 29.2 m -110.8 139.72 33.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.543 ' HB3' ' CE3' ' A' ' 51' ' ' TRP . 8.1 pt20 -92.1 161.74 14.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.963 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.1 mtt180 . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 121.6 0.714 . . . . 0.0 110.875 -179.901 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.479 HD22 ' N ' ' A' ' 50' ' ' LEU . 1.5 mm? . . . . . 0 C--O 1.23 0.036 0 CA-C-O 120.834 0.35 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.543 ' CE3' ' HB3' ' A' ' 40' ' ' GLN . 90.2 m95 -90.29 134.26 34.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.826 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.408 ' HA ' HD11 ' A' ' 38' ' ' LEU . 8.0 pt-20 -160.62 169.59 22.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.413 ' CD1' ' CD1' ' A' ' 38' ' ' LEU . 18.2 m-85 -69.42 146.62 96.53 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.63 0.729 . . . . 0.0 110.917 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 142.3 47.35 Favored 'Trans proline' 0 C--N 1.34 0.115 0 C-N-CA 122.66 2.24 . . . . 0.0 112.299 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 45.8 p -146.64 165.7 28.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.3 m -128.43 171.99 15.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.9 t -53.72 158.75 1.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.115 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 79.3 t90 -78.08 146.08 35.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 38.7 mp0 -122.38 136.08 26.16 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.669 0.747 . . . . 0.0 110.915 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -21.21 33.58 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.667 2.244 . . . . 0.0 112.298 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 t -99.68 165.83 11.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.827 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -88.03 -20.34 25.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.955 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.6 tp60 -91.47 -42.72 10.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.3 mp -61.44 -34.96 76.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.437 ' OE1' ' CB ' ' A' ' 22' ' ' ALA . 4.3 tp-100 -55.81 -48.87 74.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.449 ' HB3' ' CD2' ' A' ' 85' ' ' LEU . 19.0 mtp180 -74.3 -43.7 55.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.6 mttm -52.37 -43.29 64.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -81.82 -40.19 22.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.188 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.693 HD21 ' HB2' ' A' ' 24' ' ' CYS . 21.8 tp -51.15 -42.32 60.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 72' ' ' GLU . 84.0 mt -71.94 -50.61 27.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.437 ' HG3' ' N ' ' A' ' 72' ' ' GLU . 1.5 pp0? -35.5 -31.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.964 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 70' ' ' LEU . 6.5 tp10 -82.96 -54.79 4.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.486 HD12 HD23 ' A' ' 70' ' ' LEU . 16.8 mt -42.89 -50.88 5.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -51.81 -46.55 64.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 25.8 mtm180 -47.66 -30.16 3.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.445 ' CE2' HG11 ' A' ' 39' ' ' VAL . 72.2 m95 -90.24 -74.68 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.422 ' HA ' HG21 ' A' ' 115' ' ' VAL . . . -73.66 -72.78 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 152.94 -103.29 0.24 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.593 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.656 ' O ' HD22 ' A' ' 80' ' ' LEU . 53.6 Cg_endo -69.78 116.67 4.67 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.704 2.269 . . . . 0.0 112.295 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.656 HD22 ' O ' ' A' ' 79' ' ' PRO . 4.3 mm? -129.69 133.73 25.39 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.633 0.73 . . . . 0.0 110.875 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.675 ' HG2' HD21 ' A' ' 107' ' ' LEU . 54.0 Cg_endo -69.75 -174.14 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.656 2.237 . . . . 0.0 112.344 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -130.07 -52.81 1.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.097 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 27.9 m -61.77 -37.45 84.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.178 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -55.63 -49.08 73.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.449 ' CD2' ' HB3' ' A' ' 66' ' ' ARG . 6.0 tp -49.2 122.44 6.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -134.2 154.95 50.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.789 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 -90.68 121.7 32.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 35.9 mt -122.29 90.96 3.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 59.41 -167.26 8.09 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.504 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -148.69 168.71 22.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.859 0.361 . . . . 0.0 110.899 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.441 HG23 ' CG2' ' A' ' 104' ' ' VAL . 40.8 t -137.64 106.53 4.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.073 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.517 HG22 ' HA ' ' A' ' 101' ' ' THR . 25.6 t -115.98 110.42 31.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.099 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -98.11 106.87 19.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.817 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.554 HG23 ' HZ2' ' A' ' 99' ' ' LYS . 31.1 m -82.72 114.96 21.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.478 ' N ' ' O ' ' A' ' 98' ' ' ILE . 35.7 m-85 -86.81 167.73 14.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.79 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 24.0 t -40.22 -66.35 0.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.84 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -115.28 3.24 14.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.888 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.529 ' CG2' ' N ' ' A' ' 99' ' ' LYS . 22.8 mt -121.2 160.58 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.554 ' HZ2' HG23 ' A' ' 94' ' ' THR . 0.0 OUTLIER -139.59 128.47 23.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.868 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.446 ' O ' HG13 ' A' ' 92' ' ' VAL . 3.2 mm? -113.63 144.65 42.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.517 ' HA ' HG22 ' A' ' 92' ' ' VAL . 29.5 m -128.54 106.58 9.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.097 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -110.05 130.08 55.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -95.46 111.48 23.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.604 HG11 HG12 ' A' ' 145' ' ' VAL . 60.9 t -70.28 125.46 28.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -139.46 135.9 34.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -112.13 136.51 13.57 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.527 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.675 HD21 ' HG2' ' A' ' 81' ' ' PRO . 1.6 tm? -147.79 113.88 5.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.812 0.339 . . . . 0.0 110.993 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.548 ' N ' HD13 ' A' ' 107' ' ' LEU . . . -130.68 144.26 51.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.06 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 43.8 mt -84.91 109.74 18.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.466 -0.134 0 CA-C-O 120.869 0.279 . . . . 0.0 112.312 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.569 HG22 ' H ' ' A' ' 117' ' ' THR . 2.8 p -106.68 -43.5 7.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.11 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 115' ' ' VAL . 14.9 p 35.49 34.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.196 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.569 ' H ' HG22 ' A' ' 115' ' ' VAL . 90.3 m -165.98 120.02 1.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.182 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.601 ' CG2' ' HB3' ' A' ' 122' ' ' ALA . 8.3 p -130.56 137.53 31.01 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.596 0.712 . . . . 0.0 111.172 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.558 ' HD2' HG23 ' A' ' 118' ' ' VAL . 53.8 Cg_endo -69.87 164.38 34.85 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.651 2.234 . . . . 0.0 112.317 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 102.8 1.06 Allowed 'Trans proline' 0 C--O 1.23 0.125 0 C-N-CA 122.697 2.264 . . . . 0.0 112.354 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 142.26 -16.67 2.52 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.476 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.601 ' HB3' ' CG2' ' A' ' 118' ' ' VAL . . . -106.58 165.36 11.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.759 0.314 . . . . 0.0 111.105 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.557 ' NE ' HD23 ' A' ' 125' ' ' LEU . 6.5 ttt180 -140.37 141.04 35.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.86 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' TRP . . . . . 0.493 ' NE1' HD13 ' A' ' 37' ' ' LEU . 35.0 m95 -114.2 105.94 13.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.989 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.557 HD23 ' NE ' ' A' ' 123' ' ' ARG . 1.3 pp -126.93 169.74 12.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 16.6 p -85.39 156.52 20.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.147 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.488 ' NE2' ' OE1' ' A' ' 27' ' ' GLU . 16.0 mp0 -44.2 -53.69 6.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.954 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -53.65 -46.88 70.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -56.01 -52.97 62.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.592 ' O ' ' HB3' ' A' ' 133' ' ' ALA . 29.1 t80 -38.69 -57.6 1.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.898 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -40.38 -61.32 0.93 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 22.5 p -58.55 -26.87 64.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.098 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.672 ' O ' HG23 ' A' ' 135' ' ' VAL . . . -63.52 144.84 56.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.082 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.62 98.94 0.4 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.139 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.718 HG12 ' HB2' ' A' ' 139' ' ' MET . 1.1 t -132.01 144.39 37.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 8.6 p -71.9 154.36 41.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.789 HG22 ' HD2' ' A' ' 141' ' ' LYS . 26.6 m -45.33 -60.86 1.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.091 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 137' ' ' THR . . . -37.52 -58.28 0.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.119 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' MET . . . . . 0.718 ' HB2' HG12 ' A' ' 135' ' ' VAL . 36.4 mmm -60.76 -51.54 68.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 11.5 mtpt -55.34 -17.45 4.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.789 ' HD2' HG22 ' A' ' 137' ' ' THR . 44.6 mtpt -90.37 -26.31 19.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.935 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.538 HG13 HG22 ' A' ' 104' ' ' VAL . 96.4 t -69.97 -28.75 37.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.136 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -73.14 -55.01 7.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -55.1 -22.3 15.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.836 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.604 HG12 HG11 ' A' ' 104' ' ' VAL . 25.0 t -88.37 -25.32 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.054 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -79.4 -33.62 42.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 -179.913 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.215 0 CA-C-O 120.752 0.23 . . . . 0.0 112.362 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.7 mtm180 -40.51 -51.66 2.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -91.36 100.24 13.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.956 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -148.66 113.57 5.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.4 m -120.51 144.51 48.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.7 m -157.12 151.63 25.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.812 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -115.37 114.46 25.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.132 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.453 HG21 HG21 ' A' ' 142' ' ' VAL . 2.6 t -107.32 145.45 32.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.094 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.458 ' HB2' HD21 ' A' ' 69' ' ' LEU . 6.2 t -129.71 158.61 38.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.444 ' N ' ' SG ' ' A' ' 24' ' ' CYS . 68.9 t -108.43 117.27 53.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.137 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 29.5 tp -100.83 126.29 47.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.924 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -131.73 159.28 38.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.829 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.451 ' HG2' ' CZ3' ' A' ' 124' ' ' TRP . 6.2 pt20 -151.66 150.21 25.87 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.635 0.731 . . . . 0.0 110.912 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 125.77 12.53 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.71 2.273 . . . . 0.0 112.376 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -120.08 -177.66 16.12 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.82 -61.07 2.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.339 . . . . 0.0 111.082 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.8 mt -62.72 -40.68 97.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.41 -81.13 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -167.41 141.05 3.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.807 0.337 . . . . 0.0 111.052 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.26 163.39 24.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.4 pt -113.12 174.68 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.423 HD11 ' HB1' ' A' ' 122' ' ' ALA . 11.2 tp -105.73 150.32 25.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.661 HD22 HD21 ' A' ' 125' ' ' LEU . 11.3 tp -141.75 133.87 27.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.975 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.3 m -115.62 139.16 43.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.517 ' HB2' ' CD2' ' A' ' 51' ' ' TRP . 7.4 tt0 -113.92 121.85 45.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 121.647 0.737 . . . . 0.0 110.832 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.864 0.364 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.552 ' CZ3' ' HD2' ' A' ' 123' ' ' ARG . 85.3 m95 -85.42 132.94 34.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.429 ' CB ' ' HG3' ' A' ' 139' ' ' MET . 3.0 pt-20 -163.14 161.52 25.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.673 ' CZ ' ' CE1' ' A' ' 130' ' ' PHE . 16.7 m-85 -61.93 144.19 93.94 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.669 0.747 . . . . 0.0 110.888 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 143.89 52.34 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.716 2.277 . . . . 0.0 112.342 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.6 p -145.19 164.21 32.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.449 HG12 ' HB2' ' A' ' 72' ' ' GLU . 15.0 m -124.97 -178.61 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.134 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.2 p -69.8 126.38 29.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.442 ' CH2' ' HA ' ' A' ' 60' ' ' PRO . 88.4 t90 -44.7 158.42 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.966 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -140.76 136.53 16.42 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.599 0.714 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.442 ' HA ' ' CH2' ' A' ' 58' ' ' TRP . 54.1 Cg_endo -69.67 -22.39 32.56 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.738 2.292 . . . . 0.0 112.334 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.412 ' CB ' HD22 ' A' ' 64' ' ' LEU . 6.2 t -101.54 146.71 27.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.793 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -69.04 -19.21 64.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -89.83 -51.66 5.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.412 HD22 ' CB ' ' A' ' 61' ' ' SER . 0.7 OUTLIER -48.2 -39.67 21.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.973 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.419 ' O ' ' CB ' ' A' ' 69' ' ' LEU . 8.1 tp60 -57.11 -61.81 2.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 47.2 mtp180 -59.31 -39.03 81.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp -54.88 -70.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.48 -37.93 87.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.131 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.536 HD23 HD21 ' A' ' 85' ' ' LEU . 19.9 tp -46.38 -43.45 16.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.609 HD22 ' HB3' ' A' ' 80' ' ' LEU . 81.9 mt -74.16 -44.88 51.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -40.8 -44.84 2.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.449 ' HB2' HG12 ' A' ' 56' ' ' VAL . 1.7 tp10 -69.67 -53.27 19.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 27.0 mt -46.13 -47.33 17.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -53.96 -40.89 67.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.946 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 23.4 mtt-85 -53.12 -29.82 33.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 66.2 m95 -91.62 -72.45 0.59 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.603 ' HB1' HG21 ' A' ' 115' ' ' VAL . . . -75.27 -70.87 0.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.068 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 147.55 -98.77 0.19 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.488 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.65 109.46 2.3 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.686 2.258 . . . . 0.0 112.373 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.609 ' HB3' HD22 ' A' ' 70' ' ' LEU . 4.4 mm? -120.99 121.88 28.59 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.608 0.718 . . . . 0.0 110.934 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.769 ' HG2' HD21 ' A' ' 107' ' ' LEU . 53.4 Cg_endo -69.75 170.44 16.56 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.738 2.292 . . . . 0.0 112.339 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -115.62 -40.66 3.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.126 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 73.1 p -71.49 -33.22 69.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.122 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 21.1 m170 -65.85 -29.95 70.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.536 HD21 HD23 ' A' ' 69' ' ' LEU . 18.4 tp -65.15 152.71 42.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -171.24 146.23 2.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.923 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.43 ' NE2' ' O ' ' A' ' 89' ' ' GLY . 15.7 t-80 -86.8 119.95 27.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.463 HD12 ' HD1' ' A' ' 146' ' ' TYR . 23.0 mt -118.31 90.21 3.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.927 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.43 ' O ' ' NE2' ' A' ' 87' ' ' HIS . . . 66.0 -164.57 39.62 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.482 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -152.34 170.81 19.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.899 0.38 . . . . 0.0 110.909 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.463 ' CG1' ' HE3' ' A' ' 141' ' ' LYS . 71.0 t -142.89 108.05 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.13 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.623 HG13 ' O ' ' A' ' 100' ' ' LEU . 55.8 t -118.63 112.05 36.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -105.1 145.62 30.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 63.5 m -113.46 112.53 23.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -99.89 -175.96 3.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.495 ' O ' ' CG ' ' A' ' 97' ' ' HIS . 4.2 m -46.49 107.22 0.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.495 ' CG ' ' O ' ' A' ' 96' ' ' SER . 24.0 p-80 45.1 31.73 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 61.3 mt -137.45 150.26 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.1 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 43.8 tttt -136.58 117.94 14.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.623 ' O ' HG13 ' A' ' 92' ' ' VAL . 3.4 mm? -104.14 154.62 19.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.485 ' HA ' HG22 ' A' ' 92' ' ' VAL . 17.7 m -133.05 101.24 5.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -107.98 120.19 41.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -89.14 120.08 30.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.449 HG22 HG13 ' A' ' 142' ' ' VAL . 73.1 t -75.86 125.82 35.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.09 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -132.94 140.42 47.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -111.62 142.99 17.24 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.5 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.769 HD21 ' HG2' ' A' ' 81' ' ' PRO . 1.2 tm? -157.01 113.95 3.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.833 0.349 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.599 ' N ' HD13 ' A' ' 107' ' ' LEU . . . -134.44 146.76 50.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 86.9 mt -87.66 108.56 19.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 179.851 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.791 0.246 . . . . 0.0 112.378 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.603 HG21 ' HB1' ' A' ' 77' ' ' ALA . 6.6 p -113.47 -37.92 2.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.979 0.418 . . . . 0.0 111.129 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 115' ' ' VAL . 16.5 p 37.38 34.77 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.149 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 57.4 m -145.64 119.13 9.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.122 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.484 ' O ' HG13 ' A' ' 118' ' ' VAL . 4.3 p -159.99 124.97 2.18 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.656 0.741 . . . . 0.0 111.095 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 169.69 18.38 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.675 2.25 . . . . 0.0 112.38 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 0.37 5.67 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.624 2.216 . . . . 0.0 112.414 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -105.05 2.65 40.88 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.464 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.423 ' HB1' HD11 ' A' ' 37' ' ' LEU . . . -132.49 159.95 37.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 0.0 111.089 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.552 ' HD2' ' CZ3' ' A' ' 51' ' ' TRP . 8.8 ptm180 -143.12 137.9 29.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' TRP . . . . . 0.451 ' CZ3' ' HG2' ' A' ' 28' ' ' GLN . 42.9 m95 -97.03 101.17 12.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.661 HD21 HD22 ' A' ' 38' ' ' LEU . 1.7 pp -116.67 167.29 11.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.91 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 6.8 p -83.61 175.2 9.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.093 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -61.99 -44.85 95.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -65.28 -42.15 93.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.02 -35.92 74.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.673 ' CE1' ' CZ ' ' A' ' 53' ' ' PHE . 34.0 t80 -60.63 -50.58 72.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.876 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -52.37 -51.11 60.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.796 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 64.5 p -68.23 -29.05 67.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.167 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -57.48 -178.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -100.01 94.27 6.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.074 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.794 HG12 ' HB2' ' A' ' 139' ' ' MET . 1.0 OUTLIER -124.95 145.51 32.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.1 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 136' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 137' ' ' THR . 13.4 m -71.65 144.11 49.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.837 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 136' ' ' SER . 87.1 m -33.9 -65.08 0.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.044 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.429 ' HA ' ' CE ' ' A' ' 141' ' ' LYS . . . -42.04 -68.01 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.075 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' MET . . . . . 0.794 ' HB2' HG12 ' A' ' 135' ' ' VAL . 48.7 mmm -39.82 -55.21 2.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -50.25 -37.86 37.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.463 ' HE3' ' CG1' ' A' ' 91' ' ' VAL . 41.9 mtmt -65.62 -33.84 76.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.95 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.453 HG21 HG21 ' A' ' 23' ' ' THR . 54.1 t -62.2 -22.86 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -80.09 -61.54 1.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.961 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -48.42 -35.66 13.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.947 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.421 HG12 HG11 ' A' ' 104' ' ' VAL . 38.4 t -71.23 -32.42 47.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.14 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 146' ' ' TYR . . . . . 0.463 ' HD1' HD12 ' A' ' 88' ' ' LEU . 1.6 t80 -66.2 -45.74 79.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.935 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.163 0 CA-C-O 120.73 0.221 . . . . 0.0 112.281 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 16' ' ' PRO . 36.5 mtp180 -35.06 -47.75 0.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -100.89 100.22 10.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.925 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -138.41 113.49 9.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.831 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.43 ' C ' ' HB2' ' A' ' 58' ' ' TRP . 25.2 m -117.13 139.44 50.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.849 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.2 m -154.8 152.08 29.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -119.74 112.2 18.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.096 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.508 HG23 HG11 ' A' ' 142' ' ' VAL . 5.8 t -104.2 146.52 28.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.453 ' HB2' HD11 ' A' ' 69' ' ' LEU . 53.2 t -123.0 160.29 26.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 67.0 t -114.97 103.48 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.146 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.428 HD13 HD11 ' A' ' 80' ' ' LEU . 41.4 tp -89.26 122.01 32.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.817 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -124.32 152.9 42.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.451 ' HG2' HD12 ' A' ' 109' ' ' LEU . 24.0 mt-30 -149.81 145.67 19.33 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.554 0.692 . . . . 0.0 110.903 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 131.34 21.01 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.67 2.247 . . . . 0.0 112.292 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -125.27 -168.86 12.82 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.522 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.48 -47.87 79.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.835 0.35 . . . . 0.0 111.119 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.4 mt -69.07 -42.89 75.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.32 -55.76 0.18 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.518 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -157.47 169.13 25.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.779 0.323 . . . . 0.0 111.061 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -162.3 129.63 3.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.937 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.505 HD11 ' HB2' ' A' ' 130' ' ' PHE . 4.4 pt -96.54 174.24 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.3 tp -108.66 145.62 34.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.583 HD22 HD21 ' A' ' 125' ' ' LEU . 8.8 tp -143.12 127.32 17.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.538 HG12 ' HB2' ' A' ' 122' ' ' ALA . 18.2 m -104.61 159.49 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.093 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -102.56 155.76 18.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.6 mtp85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 121.566 0.698 . . . . 0.0 110.871 -179.91 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.847 0.356 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.525 ' HB3' HD23 ' A' ' 38' ' ' LEU . 84.9 m95 -103.32 125.94 50.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.439 ' N ' ' CD ' ' A' ' 52' ' ' GLU . 1.1 pm0 -152.15 165.48 34.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.924 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.778 ' CZ ' ' CE1' ' A' ' 130' ' ' PHE . 12.8 m-85 -64.88 146.79 98.66 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.71 0.767 . . . . 0.0 110.843 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 143.22 50.14 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.692 2.262 . . . . 0.0 112.403 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.6 p -145.37 174.28 11.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.4 HG12 ' CB ' ' A' ' 72' ' ' GLU . 5.3 m -133.54 -176.32 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.4 p -70.94 125.41 26.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.185 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.43 ' HB2' ' C ' ' A' ' 20' ' ' SER . 79.8 t90 -44.09 158.71 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -138.86 134.43 17.04 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.644 0.735 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.89 -20.53 34.08 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.742 2.295 . . . . 0.0 112.34 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.3 t -97.1 161.37 13.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -79.48 -28.54 41.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 27.8 tp60 -85.55 -60.65 1.97 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.3 mp -37.51 -41.84 0.48 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -54.94 -51.37 66.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.96 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 38.4 mtt180 -68.72 -46.26 69.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.7 mtmt -50.05 -62.66 1.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.46 -43.31 94.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.137 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.453 HD11 ' HB2' ' A' ' 24' ' ' CYS . 9.6 tp -42.83 -48.24 5.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.973 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.579 HD23 HD12 ' A' ' 73' ' ' LEU . 86.7 mt -72.22 -46.87 54.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 70' ' ' LEU . 23.0 mt-30 -36.99 -35.97 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.4 ' CB ' HG12 ' A' ' 56' ' ' VAL . 3.7 tp10 -81.97 -53.8 5.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.579 HD12 HD23 ' A' ' 70' ' ' LEU . 22.4 mt -41.97 -48.94 4.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -53.32 -39.23 63.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -55.53 -29.51 59.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.799 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.601 ' CE3' ' HB2' ' A' ' 122' ' ' ALA . 77.4 m95 -89.93 -70.34 0.67 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.756 ' HB1' HG21 ' A' ' 115' ' ' VAL . . . -79.12 -72.26 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.081 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 149.81 -100.48 0.21 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 108.37 2.08 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.712 2.275 . . . . 0.0 112.307 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.428 HD11 HD13 ' A' ' 26' ' ' LEU . 4.4 mm? -120.56 135.27 24.49 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.544 0.688 . . . . 0.0 110.959 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.865 ' HG2' HD21 ' A' ' 107' ' ' LEU . 53.4 Cg_endo -69.84 -175.66 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.633 2.222 . . . . 0.0 112.347 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -128.22 -73.67 0.59 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.1 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -50.42 -38.06 41.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.166 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -51.22 -44.71 61.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.529 ' CA ' HD23 ' A' ' 107' ' ' LEU . 16.8 tp -55.41 154.93 5.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.965 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.465 ' N ' ' HG ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -170.85 155.13 4.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.885 179.899 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -87.85 123.72 32.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.426 HD21 ' HD3' ' A' ' 86' ' ' ARG . 3.9 mt -128.36 93.07 3.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 65.77 -175.88 16.59 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.461 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.86 171.09 15.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.946 0.403 . . . . 0.0 110.846 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 38.3 t -140.72 109.06 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.48 ' CG1' ' HD3' ' A' ' 99' ' ' LYS . 53.5 t -120.23 114.25 43.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 39.0 t60 -102.76 145.35 29.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -110.76 105.0 13.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -79.75 -179.02 6.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 46.8 t -45.41 -63.72 0.89 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -130.32 24.09 5.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.864 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 35.9 mt -136.37 143.75 34.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.48 ' HD3' ' CG1' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -120.59 108.28 13.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 179.854 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -91.24 149.69 21.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.985 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 57.0 m -132.49 105.58 7.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.132 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -109.74 128.88 55.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.954 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 -95.49 119.66 34.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.718 HG22 HG13 ' A' ' 142' ' ' VAL . 57.4 t -74.01 127.42 35.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -136.99 127.32 26.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -106.58 137.17 13.75 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.378 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.865 HD21 ' HG2' ' A' ' 81' ' ' PRO . 1.7 tm? -155.59 108.72 2.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.79 0.328 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.465 ' N ' HD13 ' A' ' 107' ' ' LEU . . . -127.96 147.6 50.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.101 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.451 HD12 ' HG2' ' A' ' 28' ' ' GLN . 94.0 mt -88.59 108.41 19.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.918 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.465 -0.177 0 CA-C-O 120.863 0.276 . . . . 0.0 112.337 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.756 HG21 ' HB1' ' A' ' 77' ' ' ALA . 7.7 p -114.43 -40.95 3.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 115' ' ' VAL . 11.3 p 33.71 42.13 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.216 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 22.9 m -157.82 124.38 4.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.074 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.479 ' CG2' ' HB3' ' A' ' 122' ' ' ALA . 9.7 p -168.0 136.17 1.9 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.576 0.703 . . . . 0.0 111.161 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 118' ' ' VAL . 54.1 Cg_endo -69.72 167.42 24.43 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.66 2.24 . . . . 0.0 112.383 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 -0.8 7.41 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.731 2.288 . . . . 0.0 112.386 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -101.4 4.28 54.54 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.498 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.601 ' HB2' ' CE3' ' A' ' 76' ' ' TRP . . . -134.52 165.96 24.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.803 0.335 . . . . 0.0 111.11 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -149.31 149.24 30.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 33.0 m95 -107.22 105.23 15.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.94 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.583 HD21 HD22 ' A' ' 38' ' ' LEU . 1.6 pp -120.92 169.82 10.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.943 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 6.0 p -88.07 173.2 9.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.144 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -58.9 -45.81 89.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.977 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -64.59 -33.36 75.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -73.34 -32.99 64.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.778 ' CE1' ' CZ ' ' A' ' 53' ' ' PHE . 9.3 t80 -61.8 -46.0 91.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -61.11 -40.89 95.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 80.4 p -72.29 -24.59 61.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.203 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -66.3 169.7 6.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.018 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -87.91 97.56 11.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.738 HG12 ' HB2' ' A' ' 139' ' ' MET . 1.0 OUTLIER -127.61 144.96 35.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.103 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 136' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 137' ' ' THR . 77.4 p -78.43 143.74 36.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.802 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.534 HG22 ' HD2' ' A' ' 141' ' ' LYS . 4.0 m -34.99 -62.19 0.38 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.143 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 137' ' ' THR . . . -35.32 -57.89 0.58 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.129 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' MET . . . . . 0.738 ' HB2' HG12 ' A' ' 135' ' ' VAL . 22.9 mmm -65.09 -47.43 77.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -54.89 -18.86 5.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.534 ' HD2' HG22 ' A' ' 137' ' ' THR . 7.8 mtpm? -89.37 -23.02 22.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.718 HG13 HG22 ' A' ' 104' ' ' VAL . 63.7 t -76.93 -13.14 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.152 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -84.41 -51.11 7.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 28.7 ptt85 -62.7 -23.64 67.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.867 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.472 HG11 HG21 ' A' ' 104' ' ' VAL . 55.8 t -79.54 -21.24 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.088 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -83.97 -39.02 20.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.926 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 17' ' ' ARG . 54.2 Cg_endo . . . . . 0 N--CA 1.465 -0.151 0 CA-C-O 120.792 0.246 . . . . 0.0 112.341 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.439 ' CD ' ' O ' ' A' ' 97' ' ' HIS . 6.4 mmm180 -36.4 -68.99 0.12 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -76.74 100.2 5.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -146.19 113.49 6.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 75.7 m -127.37 147.07 50.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 72.3 m -154.89 162.25 41.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.525 ' CB ' ' CD ' ' A' ' 65' ' ' GLN . . . -124.43 113.1 17.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.04 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.543 ' CG2' HG11 ' A' ' 142' ' ' VAL . 15.1 t -104.47 152.98 21.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.091 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.743 ' HB2' HD21 ' A' ' 69' ' ' LEU . 1.1 t -133.92 145.45 49.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 78.7 t -100.5 113.8 37.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.169 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.2 tp -100.78 124.27 46.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.468 ' HB2' HG22 ' A' ' 36' ' ' ILE . 44.7 tt0 -130.19 155.62 45.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -144.44 147.65 37.45 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.546 0.689 . . . . 0.0 110.932 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 120.21 7.03 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.633 2.222 . . . . 0.0 112.355 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -111.24 150.9 17.88 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.467 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -38.45 -56.89 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.762 0.315 . . . . 0.0 111.091 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 32.1 mt -63.05 -48.19 79.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.62 -83.15 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.483 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -168.13 158.99 10.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.792 0.329 . . . . 0.0 111.119 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 -152.9 156.67 39.38 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.468 HG22 ' HB2' ' A' ' 27' ' ' GLU . 7.5 pt -109.27 173.57 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.173 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.502 HD13 ' NE1' ' A' ' 124' ' ' TRP . 6.9 tp -106.49 148.66 27.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.96 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.598 HD12 ' CD1' ' A' ' 53' ' ' PHE . 9.1 tp -146.22 131.42 18.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.688 HG11 ' CE2' ' A' ' 76' ' ' TRP . 34.1 m -111.88 155.03 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.052 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.401 ' HB2' ' CE3' ' A' ' 51' ' ' TRP . 32.1 tt0 -107.96 125.4 51.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 121.602 0.715 . . . . 0.0 110.85 -179.926 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.2 mm? . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.833 0.349 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.512 ' HB3' HD23 ' A' ' 38' ' ' LEU . 87.4 m95 -76.25 142.52 41.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.904 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -170.96 160.88 6.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.598 ' CD1' HD12 ' A' ' 38' ' ' LEU . 14.8 m-85 -64.37 147.62 97.0 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.658 0.742 . . . . 0.0 110.891 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 142.55 48.39 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.713 2.276 . . . . 0.0 112.415 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 84.4 p -146.49 168.86 20.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.849 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.438 HG12 ' HB2' ' A' ' 72' ' ' GLU . 4.7 m -128.94 171.06 17.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.19 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.8 t -54.13 152.82 5.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 87.6 t90 -70.23 142.45 52.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -130.48 132.15 23.81 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.66 0.743 . . . . 0.0 110.947 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -25.34 28.53 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.66 2.24 . . . . 0.0 112.315 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.1 t -93.1 129.65 39.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.869 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -54.26 -26.99 32.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -83.32 -61.37 1.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.5 mp -41.56 -39.2 1.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.525 ' CD ' ' CB ' ' A' ' 22' ' ' ALA . 2.9 tp-100 -59.71 -57.31 13.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 70.4 mtm180 -60.03 -40.76 90.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.2 mtpt -51.17 -51.56 52.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 70' ' ' LEU . . . -73.62 -51.96 15.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.832 HD23 HD21 ' A' ' 85' ' ' LEU . 65.8 tp -34.28 -35.2 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 68' ' ' ALA . 91.8 mt -87.81 -45.3 10.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.964 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 68' ' ' ALA . 5.9 pt20 -46.33 -23.04 0.3 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.438 ' HB2' HG12 ' A' ' 56' ' ' VAL . 2.6 tp10 -92.5 -52.58 4.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.721 HD11 ' SG ' ' A' ' 24' ' ' CYS . 13.8 mt -45.81 -44.49 14.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.969 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -55.39 -38.7 69.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.943 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -51.46 -30.16 18.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.804 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.688 ' CE2' HG11 ' A' ' 39' ' ' VAL . 63.4 m95 -92.36 -71.47 0.64 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.976 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.516 ' HB1' HG21 ' A' ' 115' ' ' VAL . . . -75.15 -73.73 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.082 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 150.46 -100.9 0.21 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.514 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.661 ' O ' HD22 ' A' ' 80' ' ' LEU . 54.4 Cg_endo -69.74 114.17 3.61 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.702 2.268 . . . . 0.0 112.417 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.661 HD22 ' O ' ' A' ' 79' ' ' PRO . 4.4 mm? -128.96 136.19 28.8 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.61 0.719 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.931 ' HG2' HD21 ' A' ' 107' ' ' LEU . 54.0 Cg_endo -69.76 -179.91 3.24 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.776 2.317 . . . . 0.0 112.298 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -125.19 -56.37 1.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 41.4 p -64.12 -40.27 95.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.092 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -49.57 -39.31 34.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.832 HD21 HD23 ' A' ' 69' ' ' LEU . 11.1 tp -54.62 120.39 6.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.1 tpp85 -127.4 142.74 51.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 21.8 t-80 -81.78 124.28 29.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 38.2 mt -128.03 92.17 3.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.935 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 57.63 -175.43 1.88 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.462 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -141.06 170.59 15.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.944 0.402 . . . . 0.0 110.839 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.472 HG21 ' HA ' ' A' ' 142' ' ' VAL . 44.4 t -135.32 119.54 26.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.608 HG22 ' HA ' ' A' ' 101' ' ' THR . 44.8 t -134.19 107.19 9.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -99.24 123.52 43.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 24.5 m -92.41 109.6 20.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -83.64 -175.92 6.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 30.7 t -49.79 -72.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.439 ' O ' ' CD ' ' A' ' 17' ' ' ARG . 13.9 p-80 -118.82 29.03 7.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.855 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.433 HG13 ' C ' ' A' ' 97' ' ' HIS . 23.1 mt -142.53 149.6 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.087 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -132.06 121.45 23.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.511 ' O ' HG13 ' A' ' 92' ' ' VAL . 2.6 mm? -106.59 154.12 21.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.608 ' HA ' HG22 ' A' ' 92' ' ' VAL . 91.8 m -135.01 103.92 5.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.119 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -105.78 136.41 45.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -104.03 114.94 29.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.927 HG22 HG13 ' A' ' 142' ' ' VAL . 85.1 t -72.81 126.38 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -139.52 113.11 8.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -86.0 145.3 20.64 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.469 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.931 HD21 ' HG2' ' A' ' 81' ' ' PRO . 2.3 tm? -156.97 114.95 3.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.788 0.327 . . . . 0.0 110.993 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.478 ' N ' HD13 ' A' ' 107' ' ' LEU . . . -131.43 153.05 50.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.102 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 71.7 mt -95.75 108.3 20.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.466 -0.119 0 CA-C-O 120.803 0.251 . . . . 0.0 112.358 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.73 HG22 ' H ' ' A' ' 117' ' ' THR . 2.4 p -102.67 -40.15 6.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.16 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 17.1 p 38.87 26.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.73 ' H ' HG22 ' A' ' 115' ' ' VAL . 18.3 m -136.6 125.98 24.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.09 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.569 ' O ' HG13 ' A' ' 118' ' ' VAL . 4.5 p -165.71 119.51 0.91 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.617 0.723 . . . . 0.0 111.165 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 170.1 17.28 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.706 2.271 . . . . 0.0 112.365 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 3.07 2.98 Favored 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.76 2.307 . . . . 0.0 112.309 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -105.41 2.51 39.89 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.513 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.503 ' HB2' ' CE3' ' A' ' 76' ' ' TRP . . . -129.06 168.54 15.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.813 0.34 . . . . 0.0 111.063 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -151.46 134.9 16.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' TRP . . . . . 0.502 ' NE1' HD13 ' A' ' 37' ' ' LEU . 38.0 m95 -102.18 111.01 23.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.455 ' HB2' ' CB ' ' A' ' 129' ' ' GLU . 1.3 pp -125.58 169.26 12.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.88 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 7.3 p -85.55 175.19 8.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.093 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 16.7 mp0 -61.69 -41.56 97.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.966 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -74.84 -24.08 58.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.455 ' CB ' ' HB2' ' A' ' 125' ' ' LEU . 20.5 mt-10 -73.24 -39.53 65.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.598 ' CE2' HG21 ' A' ' 135' ' ' VAL . 3.8 t80 -62.97 -47.86 81.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' HIS . . . . . 0.419 ' CE1' ' CE2' ' A' ' 143' ' ' PHE . 11.1 m-70 -43.46 -62.14 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.812 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 36.3 p -61.75 -29.07 69.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.115 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 130' ' ' PHE . . . -56.75 152.65 11.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.098 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.73 99.9 6.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.615 HG12 ' HB2' ' A' ' 139' ' ' MET . 2.3 t -126.67 147.58 31.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.117 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 137' ' ' THR . 34.5 t -68.77 138.92 55.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.697 HG22 ' HD2' ' A' ' 141' ' ' LYS . 91.4 m -33.95 -65.86 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.136 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 137' ' ' THR . . . -36.75 -69.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' MET . . . . . 0.615 ' HB2' HG12 ' A' ' 135' ' ' VAL . 36.0 mmm -42.59 -59.4 1.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? -43.99 -38.59 3.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.927 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.697 ' HD2' HG22 ' A' ' 137' ' ' THR . 6.4 mtpm? -67.55 -34.0 76.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.888 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.927 HG13 HG22 ' A' ' 104' ' ' VAL . 90.2 t -64.53 -19.74 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.052 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.419 ' CE2' ' CE1' ' A' ' 131' ' ' HIS . 64.8 t80 -81.72 -55.58 4.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -55.6 -17.89 6.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.787 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 40.8 t -87.08 -36.45 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.143 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -68.42 -32.1 71.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.962 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.873 179.974 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.773 0.239 . . . . 0.0 112.305 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 16' ' ' PRO . 87.8 mtt180 -34.06 -59.5 0.42 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -95.18 100.23 12.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.899 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -140.58 113.54 8.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.838 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.427 ' HB2' ' CB ' ' A' ' 58' ' ' TRP . 7.1 m -120.31 140.04 51.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.897 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 73.8 m -156.93 155.38 31.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.889 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.544 ' CB ' ' CD ' ' A' ' 65' ' ' GLN . . . -116.83 118.0 31.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.063 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.1 t -109.3 150.2 28.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.064 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.423 ' HB2' HD21 ' A' ' 69' ' ' LEU . 42.3 t -135.19 144.67 47.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 93.4 t -95.16 121.92 46.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.161 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.1 tp -104.26 114.5 28.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -120.96 157.29 30.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.567 ' HG2' HD12 ' A' ' 109' ' ' LEU . 38.9 mt-30 -145.92 129.12 8.25 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.639 0.733 . . . . 0.0 110.944 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 116.88 4.77 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.653 2.235 . . . . 0.0 112.351 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 31' ' ' ALA . . . -129.78 164.2 22.6 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.505 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 30' ' ' GLY . . . -36.52 -63.79 0.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.366 . . . . 0.0 111.099 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.1 mt -43.33 -42.33 4.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 153.3 -67.94 0.31 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.526 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.72 146.37 13.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.797 0.332 . . . . 0.0 111.09 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.556 ' HG3' HG22 ' A' ' 126' ' ' THR . 19.0 tt0 -149.68 131.51 15.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.937 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.6 pt -101.57 175.6 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.469 HD13 ' NE1' ' A' ' 124' ' ' TRP . 13.1 tp -106.69 149.04 27.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.556 HD22 HD21 ' A' ' 125' ' ' LEU . 10.6 tp -145.54 124.27 12.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.579 HG11 ' CE2' ' A' ' 76' ' ' TRP . 35.5 m -103.65 150.12 7.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.535 ' HB2' ' CE3' ' A' ' 51' ' ' TRP . 28.0 tt0 -98.95 160.31 14.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.401 ' N ' ' HG2' ' A' ' 40' ' ' GLN . 14.0 mtt-85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 121.611 0.72 . . . . 0.0 110.841 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.2 mm? . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.835 0.35 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.535 ' CE3' ' HB2' ' A' ' 40' ' ' GLN . 77.1 m95 -90.11 141.02 29.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.973 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -165.8 152.25 9.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.854 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.435 ' CE1' HD13 ' A' ' 38' ' ' LEU . 21.7 m-85 -54.53 146.71 32.75 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.677 0.751 . . . . 0.0 110.857 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.414 ' HG2' HD21 ' A' ' 73' ' ' LEU . 54.2 Cg_endo -69.72 141.77 46.29 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.683 2.255 . . . . 0.0 112.413 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.8 p -146.57 158.03 43.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.85 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.576 HG12 ' HB2' ' A' ' 72' ' ' GLU . 16.9 m -119.18 179.73 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.196 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.2 t -62.6 150.62 40.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.161 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.427 ' CB ' ' HB2' ' A' ' 20' ' ' SER . 89.9 t90 -67.96 147.9 51.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -133.31 133.36 22.77 Favored Pre-proline 0 C--N 1.331 -0.218 0 CA-C-O 121.665 0.745 . . . . 0.0 110.828 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -24.27 29.64 Favored 'Trans proline' 0 N--CA 1.465 -0.198 0 C-N-CA 122.748 2.299 . . . . 0.0 112.316 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.2 t -100.04 128.49 46.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.873 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.74 -38.31 15.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 64' ' ' LEU . 31.0 tt0 -71.03 -66.35 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.961 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 63' ' ' GLN . 5.5 mp -36.04 -41.9 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.544 ' CD ' ' CB ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -58.59 -52.32 66.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.903 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 41.6 mtt180 -65.27 -46.68 79.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.9 mtpt -47.37 -56.63 6.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' A' ' 70' ' ' LEU . . . -72.85 -52.06 16.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.055 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.681 HD23 HD21 ' A' ' 85' ' ' LEU . 17.5 tp -34.59 -32.39 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.541 HD22 ' HB3' ' A' ' 80' ' ' LEU . 90.0 mt -86.97 -42.89 12.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.953 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 68' ' ' ALA . 5.5 pt20 -44.32 -30.6 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.576 ' HB2' HG12 ' A' ' 56' ' ' VAL . 4.1 tp10 -82.33 -55.62 4.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.414 HD21 ' HG2' ' A' ' 54' ' ' PRO . 18.1 mt -46.66 -47.06 20.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -53.02 -35.19 59.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -56.65 -33.62 66.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.579 ' CE2' HG11 ' A' ' 39' ' ' VAL . 67.1 m95 -86.72 -71.63 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.689 ' HB1' HG21 ' A' ' 115' ' ' VAL . . . -74.74 -71.44 0.35 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.125 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 146.93 -100.25 0.22 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.515 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 107.8 1.94 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.726 2.284 . . . . 0.0 112.337 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.541 ' HB3' HD22 ' A' ' 70' ' ' LEU . 4.3 mm? -118.6 139.84 27.55 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.589 0.709 . . . . 0.0 110.918 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.831 ' HG2' HD21 ' A' ' 107' ' ' LEU . 52.9 Cg_endo -69.75 -173.6 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.7 2.267 . . . . 0.0 112.352 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -134.64 -54.94 0.83 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.145 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 21.2 p -64.64 -55.59 19.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.151 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -39.51 -42.02 1.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.681 HD21 HD23 ' A' ' 69' ' ' LEU . 29.2 tp -53.28 127.94 26.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.953 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -141.72 156.93 45.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.408 ' HB2' ' CE1' ' A' ' 105' ' ' TYR . 18.7 t-80 -93.91 126.84 39.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.0 mt -127.99 93.78 3.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 60.69 -166.65 11.83 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.456 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.84 170.54 19.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.907 0.384 . . . . 0.0 110.895 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.425 HG23 ' CG2' ' A' ' 104' ' ' VAL . 71.7 t -140.96 105.19 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.483 HG22 ' HA ' ' A' ' 101' ' ' THR . 53.3 t -115.3 103.58 15.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.129 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 62.4 t-80 -99.98 138.38 37.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 54.2 m -108.43 104.58 13.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.179 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -85.54 -175.4 5.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.548 ' O ' ' CG ' ' A' ' 97' ' ' HIS . 2.2 m -48.75 109.7 0.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.548 ' CG ' ' O ' ' A' ' 96' ' ' SER . 21.6 p-80 46.44 31.75 1.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 38.8 mt -141.32 151.06 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -133.44 119.12 19.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.443 ' O ' HG13 ' A' ' 92' ' ' VAL . 2.7 mm? -107.71 142.81 37.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.483 ' HA ' HG22 ' A' ' 92' ' ' VAL . 63.8 m -124.37 103.92 8.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.175 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -106.38 130.93 54.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -95.46 113.11 24.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.464 HG22 HG13 ' A' ' 142' ' ' VAL . 75.5 t -71.12 123.59 25.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.133 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.408 ' CE1' ' HB2' ' A' ' 87' ' ' HIS . 34.5 m-85 -136.23 133.38 36.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.006 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -109.23 140.6 15.73 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.498 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.831 HD21 ' HG2' ' A' ' 81' ' ' PRO . 1.9 tm? -157.47 112.41 2.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.865 0.364 . . . . 0.0 110.904 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.446 ' N ' HD13 ' A' ' 107' ' ' LEU . . . -132.44 140.07 48.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.048 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.567 HD12 ' HG2' ' A' ' 28' ' ' GLN . 70.9 mt -80.67 102.75 10.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.949 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.466 -0.089 0 CA-C-O 120.888 0.286 . . . . 0.0 112.248 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.689 HG21 ' HB1' ' A' ' 77' ' ' ALA . 7.9 p -99.42 -45.79 12.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.501 ' N ' HG13 ' A' ' 115' ' ' VAL . 34.9 p 44.3 29.0 0.33 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.111 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 32.3 m -142.8 137.81 29.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.578 ' O ' HG13 ' A' ' 118' ' ' VAL . 4.2 p -174.3 119.2 0.35 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.567 0.698 . . . . 0.0 111.177 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 170.28 16.94 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.662 2.241 . . . . 0.0 112.316 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 3.36 2.84 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.618 2.212 . . . . 0.0 112.402 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -103.91 -2.79 45.88 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.556 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.43 ' HB3' HG22 ' A' ' 118' ' ' VAL . . . -124.4 170.55 10.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.73 0.3 . . . . 0.0 111.167 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.435 ' NH1' ' HB2' ' A' ' 123' ' ' ARG . 1.1 ptm85 -151.94 134.96 15.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.84 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' TRP . . . . . 0.469 ' NE1' HD13 ' A' ' 37' ' ' LEU . 21.4 m95 -102.73 106.91 17.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.934 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.556 HD21 HD22 ' A' ' 38' ' ' LEU . 2.3 pp -125.38 169.85 11.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.938 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' THR . . . . . 0.556 HG22 ' HG3' ' A' ' 35' ' ' GLN . 7.7 p -90.7 160.91 15.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -46.73 -48.47 20.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -56.71 -47.99 78.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -59.76 -42.18 92.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.646 ' CE1' HG21 ' A' ' 135' ' ' VAL . 48.3 t80 -53.86 -50.24 66.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.84 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 33.5 m-70 -49.22 -51.04 35.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 71.9 p -70.56 -18.06 62.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 130' ' ' PHE . . . -69.95 147.54 50.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.129 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -71.76 96.75 1.66 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.646 HG21 ' CE1' ' A' ' 130' ' ' PHE . 1.9 t -130.31 145.78 35.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 13.7 p -69.47 151.57 45.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 18.5 m -46.23 -56.3 5.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -39.78 -62.12 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' MET . . . . . 0.599 ' HB2' HG12 ' A' ' 135' ' ' VAL . 28.2 mmm -59.59 -50.42 73.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 140' ' ' LYS . . . . . 0.419 ' CG ' ' HB ' ' A' ' 135' ' ' VAL . 12.1 mtpt -53.2 -21.22 4.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.446 ' O ' HG23 ' A' ' 145' ' ' VAL . 31.0 mttp -86.19 -27.72 24.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.464 HG13 HG22 ' A' ' 104' ' ' VAL . 84.4 t -66.2 -20.8 27.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.114 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -77.02 -59.14 2.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -51.68 -31.07 24.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.83 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 141' ' ' LYS . 95.6 t -77.25 -30.76 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.093 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -72.99 -34.55 66.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.968 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.838 0.266 . . . . 0.0 112.348 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 16' ' ' PRO . 39.7 mtt180 -37.9 -63.77 0.45 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -79.08 100.29 7.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.798 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -146.62 113.44 6.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.94 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.404 ' C ' ' HB2' ' A' ' 58' ' ' TRP . 48.3 m -123.3 142.91 50.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.3 m -150.3 157.31 42.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.804 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.408 ' HB3' ' NE2' ' A' ' 65' ' ' GLN . . . -123.37 107.38 11.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.096 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.553 HG23 HG11 ' A' ' 142' ' ' VAL . 9.5 t -104.4 147.52 27.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.147 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 43.1 t -130.94 153.26 49.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 98.0 t -101.31 125.72 55.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.107 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.712 HD13 HD11 ' A' ' 80' ' ' LEU . 47.2 tp -107.46 106.64 17.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.44 ' OE2' ' C ' ' A' ' 35' ' ' GLN . 3.1 tp10 -118.09 143.64 46.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.531 ' HG2' ' CZ3' ' A' ' 124' ' ' TRP . 4.4 pt20 -149.56 141.04 14.65 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.571 0.7 . . . . 0.0 110.915 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 132.32 22.95 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.62 2.214 . . . . 0.0 112.298 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -107.69 -138.42 8.69 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.464 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.85 -51.59 6.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.848 0.356 . . . . 0.0 111.119 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.1 mt -79.24 -40.56 30.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -164.67 -93.2 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.493 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -156.22 159.47 38.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.725 0.298 . . . . 0.0 111.131 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.44 ' C ' ' OE2' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -150.38 146.36 26.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.401 ' CG2' ' HB2' ' A' ' 27' ' ' GLU . 3.4 pt -98.47 176.78 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.569 HD13 ' NE1' ' A' ' 124' ' ' TRP . 11.8 tp -109.47 147.61 32.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' A' ' 38' ' ' LEU . 9.9 tp -142.57 122.32 13.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 31.3 m -106.48 158.89 6.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.095 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -124.34 122.4 37.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.424 ' NH1' ' HG3' ' A' ' 52' ' ' GLU . 9.1 mpt_? . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.654 0.74 . . . . 0.0 110.864 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.874 0.368 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.471 ' CZ3' ' HG2' ' A' ' 123' ' ' ARG . 86.1 m95 -71.95 133.95 45.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.904 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.424 ' HG3' ' NH1' ' A' ' 41' ' ' ARG . 3.6 pt-20 -170.3 165.69 8.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.689 ' CZ ' ' CE1' ' A' ' 130' ' ' PHE . 19.6 m-85 -70.12 148.19 95.87 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.618 0.723 . . . . 0.0 110.816 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 142.59 48.21 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.633 2.222 . . . . 0.0 112.338 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.1 p -144.23 159.17 43.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.408 HG12 ' HB2' ' A' ' 72' ' ' GLU . 8.9 m -124.51 176.55 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 21.3 p -61.43 144.03 54.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.163 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.404 ' HB2' ' C ' ' A' ' 20' ' ' SER . 86.7 t90 -63.54 141.81 58.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.914 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -124.11 135.04 25.91 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.588 0.708 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -28.57 25.22 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.628 2.219 . . . . 0.0 112.369 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.528 ' HB2' HD22 ' A' ' 64' ' ' LEU . 3.1 t -92.51 151.65 20.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -70.49 -30.07 66.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 47.0 tp60 -81.7 -61.28 1.97 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.528 HD22 ' HB2' ' A' ' 61' ' ' SER . 1.0 OUTLIER -39.19 -41.99 0.92 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.957 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.408 ' NE2' ' HB3' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -55.24 -52.01 64.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.889 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.3 mtp180 -68.06 -49.19 62.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -45.69 -57.6 4.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.924 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.75 -49.32 47.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.1 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 31.6 tp -40.77 -45.25 2.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.58 HD22 ' HB3' ' A' ' 80' ' ' LEU . 86.1 mt -69.76 -51.11 36.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.843 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -36.94 -42.02 0.37 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.408 ' HB2' HG12 ' A' ' 56' ' ' VAL . 3.2 tp10 -69.06 -55.91 9.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 37.4 mt -45.55 -47.39 14.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -52.8 -43.41 65.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 64.9 mtp180 -51.36 -34.11 32.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 82.2 m95 -87.08 -70.91 0.58 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.56 ' HB1' HG21 ' A' ' 115' ' ' VAL . . . -77.98 -71.67 0.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 147.18 -99.04 0.2 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.559 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 108.25 2.03 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.67 2.247 . . . . 0.0 112.338 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.712 HD11 HD13 ' A' ' 26' ' ' LEU . 4.3 mm? -120.66 133.24 24.03 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.599 0.714 . . . . 0.0 110.932 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.812 ' HG2' HD21 ' A' ' 107' ' ' LEU . 53.1 Cg_endo -69.8 174.6 9.3 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.668 2.245 . . . . 0.0 112.369 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -118.57 -52.63 2.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.094 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 85.3 m -66.2 -49.79 66.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.166 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -41.56 -43.74 2.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.824 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.503 ' CA ' HD23 ' A' ' 107' ' ' LEU . 37.3 tp -52.08 134.42 32.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 56.7 mtt180 -154.97 136.91 14.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.477 ' O ' HD23 ' A' ' 88' ' ' LEU . 16.6 t-80 -75.31 124.09 26.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.817 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.477 HD23 ' O ' ' A' ' 87' ' ' HIS . 40.8 mt -128.42 91.85 3.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 74.74 -172.78 52.62 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.51 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -150.12 170.93 17.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.845 0.355 . . . . 0.0 110.902 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.501 HG23 ' CG2' ' A' ' 104' ' ' VAL . 75.2 t -139.14 106.15 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.178 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 73.2 t -120.7 102.61 12.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.134 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -98.18 108.54 21.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.853 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 38.3 m -81.52 108.05 14.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.151 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -82.68 178.23 8.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.861 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 12.8 t -48.96 -69.46 0.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.422 ' C ' HG13 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -118.0 29.69 7.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.422 HG13 ' C ' ' A' ' 97' ' ' HIS . 63.9 mt -146.8 144.58 20.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.409 ' C ' ' HD2' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -127.83 116.52 20.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.877 179.825 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -103.51 146.16 28.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 94.1 m -132.48 97.66 4.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.085 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -98.83 144.77 27.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -106.46 115.35 30.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.95 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.627 HG22 HG13 ' A' ' 142' ' ' VAL . 84.2 t -74.69 124.39 32.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.2 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.47 ' CE1' ' HB2' ' A' ' 87' ' ' HIS . 42.4 m-85 -131.89 134.92 46.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.963 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -109.72 131.79 10.68 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.466 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.812 HD21 ' HG2' ' A' ' 81' ' ' PRO . 1.4 tm? -147.6 119.96 8.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.814 0.34 . . . . 0.0 110.956 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.615 ' N ' HD13 ' A' ' 107' ' ' LEU . . . -137.97 150.91 47.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 57.6 mt -93.52 103.05 15.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.935 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.159 0 CA-C-O 120.814 0.256 . . . . 0.0 112.36 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.56 HG21 ' HB1' ' A' ' 77' ' ' ALA . 7.7 p -96.86 -42.49 11.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.421 ' N ' HG13 ' A' ' 115' ' ' VAL . 30.6 p 43.52 31.34 0.42 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.138 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 24.4 m -143.71 129.96 19.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.571 ' CG2' ' HB3' ' A' ' 122' ' ' ALA . 8.1 p -171.93 127.7 0.6 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.681 0.753 . . . . 0.0 111.075 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 169.75 18.2 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.754 2.303 . . . . 0.0 112.306 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 2.65 3.35 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.67 2.246 . . . . 0.0 112.311 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -109.01 15.08 33.83 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.512 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.571 ' HB3' ' CG2' ' A' ' 118' ' ' VAL . . . -138.73 169.94 16.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.737 0.303 . . . . 0.0 111.117 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.493 ' NE ' HD23 ' A' ' 125' ' ' LEU . 10.9 ptm180 -151.98 141.53 21.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' TRP . . . . . 0.569 ' NE1' HD13 ' A' ' 37' ' ' LEU . 29.3 m95 -107.91 109.74 21.33 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.493 HD23 ' NE ' ' A' ' 123' ' ' ARG . 0.9 OUTLIER -124.83 169.81 11.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 18.5 p -80.39 170.74 15.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -53.74 -54.69 34.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -57.51 -53.53 57.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -42.08 -46.33 4.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.689 ' CE1' ' CZ ' ' A' ' 53' ' ' PHE . 15.6 t80 -53.23 -53.76 45.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.849 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -43.2 -57.29 3.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 23.4 p -62.14 -50.92 69.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.138 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -36.48 153.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.104 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -71.9 99.21 2.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.083 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.59 HG12 ' HB2' ' A' ' 139' ' ' MET . 3.4 t -130.03 138.76 53.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.159 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 48.4 p -66.76 156.25 35.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.689 HG22 ' HD2' ' A' ' 141' ' ' LYS . 24.9 m -48.0 -57.48 5.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.08 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -43.0 -70.3 0.11 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.082 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' MET . . . . . 0.59 ' HB2' HG12 ' A' ' 135' ' ' VAL . 32.0 mmm -49.8 -48.51 50.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 140' ' ' LYS . . . . . 0.453 ' CG ' ' HB ' ' A' ' 135' ' ' VAL . 57.4 mttt -52.26 -31.95 34.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.689 ' HD2' HG22 ' A' ' 137' ' ' THR . 33.7 mtpt -74.09 -43.17 58.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.948 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.627 HG13 HG22 ' A' ' 104' ' ' VAL . 60.4 t -50.73 -27.64 5.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -73.19 -70.75 0.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -43.27 -33.74 1.03 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 141' ' ' LYS . 72.0 t -70.22 -39.38 76.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.068 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -72.69 -42.01 64.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.961 -179.974 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.156 0 CA-C-O 120.868 0.278 . . . . 0.0 112.33 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -38.73 -65.35 0.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -85.85 100.33 11.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -143.51 113.46 7.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.0 m -121.91 144.78 48.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.5 m -148.98 158.22 44.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.411 ' HB2' ' CD ' ' A' ' 65' ' ' GLN . . . -113.25 113.02 24.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.071 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.519 HG21 HG21 ' A' ' 142' ' ' VAL . 2.3 t -108.99 146.29 34.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.17 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.543 ' HB2' HD21 ' A' ' 69' ' ' LEU . 1.6 t -131.99 156.77 45.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.429 ' N ' ' SG ' ' A' ' 24' ' ' CYS . 47.1 t -107.89 99.65 9.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.141 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.1 tp -86.4 110.26 19.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.483 ' HB2' HG22 ' A' ' 36' ' ' ILE . 22.9 tt0 -122.55 151.37 41.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.437 ' N ' ' HG2' ' A' ' 27' ' ' GLU . 16.4 tt0 -140.28 138.24 18.88 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.601 0.715 . . . . 0.0 110.945 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 125.42 12.12 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.728 2.285 . . . . 0.0 112.339 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -113.6 -97.85 2.28 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.447 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -127.95 -73.2 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.837 0.351 . . . . 0.0 111.117 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.5 mt -57.24 -39.71 76.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.923 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -167.39 -80.91 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.511 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -166.92 166.37 15.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.749 0.309 . . . . 0.0 111.094 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.413 ' CG ' HG22 ' A' ' 126' ' ' THR . 11.1 mt-30 -136.28 138.0 41.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.483 HG22 ' HB2' ' A' ' 27' ' ' GLU . 6.4 pt -103.83 172.8 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.5 tp -108.3 140.14 41.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.532 ' CD2' HD21 ' A' ' 125' ' ' LEU . 10.4 tp -137.34 125.6 23.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.645 HG11 ' CE2' ' A' ' 76' ' ' TRP . 34.9 m -111.38 131.76 61.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.42 ' HB2' ' CZ3' ' A' ' 51' ' ' TRP . 29.9 tt0 -71.21 160.05 33.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 121.563 0.697 . . . . 0.0 110.869 -179.947 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.5 mm? . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.794 0.33 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.482 ' O ' HG13 ' A' ' 135' ' ' VAL . 82.4 m95 -88.85 133.21 34.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.405 ' CB ' ' HG3' ' A' ' 139' ' ' MET . 5.6 pt-20 -160.7 157.7 27.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.614 ' CZ ' ' CE2' ' A' ' 130' ' ' PHE . 15.8 m-85 -56.25 146.31 52.62 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.636 0.731 . . . . 0.0 110.903 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 143.99 52.45 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.724 2.283 . . . . 0.0 112.304 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.2 p -145.68 160.85 41.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.9 m -124.37 175.97 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.143 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.7 p -58.88 135.5 57.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.47 ' CG ' ' N ' ' A' ' 59' ' ' GLU . 80.2 t90 -60.54 165.62 3.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.862 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.47 ' N ' ' CG ' ' A' ' 58' ' ' TRP . 5.9 mm-40 -148.69 139.69 13.75 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.715 0.769 . . . . 0.0 110.825 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -17.47 37.72 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.625 2.217 . . . . 0.0 112.37 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.4 t -103.94 155.47 18.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -78.54 -23.77 46.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -86.68 -48.58 8.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.3 mp -55.99 -34.2 65.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.411 ' CD ' ' HB2' ' A' ' 22' ' ' ALA . 8.4 tp60 -61.02 -54.56 43.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.464 ' HG2' HD23 ' A' ' 85' ' ' LEU . 57.1 mtp180 -63.33 -38.71 92.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.861 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.2 mtmt -49.87 -65.28 0.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.942 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.76 -37.24 86.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.603 HD23 HD21 ' A' ' 85' ' ' LEU . 22.5 tp -44.13 -60.93 1.66 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.63 HD22 ' HB3' ' A' ' 80' ' ' LEU . 86.0 mt -62.83 -48.4 79.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 70' ' ' LEU . 35.8 mm-40 -35.19 -38.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.941 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -79.51 -54.09 6.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.466 HD12 HD23 ' A' ' 70' ' ' LEU . 30.7 mt -42.68 -49.52 5.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -50.43 -44.73 55.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -51.8 -32.76 32.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.851 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.84 ' CE3' ' HB2' ' A' ' 122' ' ' ALA . 89.9 m95 -84.58 -71.35 0.52 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.437 ' CA ' HG21 ' A' ' 115' ' ' VAL . . . -80.51 -70.05 0.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.04 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 149.47 -99.79 0.2 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.542 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.469 ' O ' HD22 ' A' ' 80' ' ' LEU . 52.8 Cg_endo -69.8 111.42 2.81 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.701 2.267 . . . . 0.0 112.304 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.63 ' HB3' HD22 ' A' ' 70' ' ' LEU . 4.3 mm? -125.03 134.4 25.68 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.627 0.727 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.875 ' HG2' HD21 ' A' ' 107' ' ' LEU . 53.2 Cg_endo -69.84 -173.93 0.82 Allowed 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.609 2.206 . . . . 0.0 112.264 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -131.26 -69.25 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.115 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 51.5 m -55.76 -34.99 65.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.198 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -54.04 -37.26 63.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.603 HD21 HD23 ' A' ' 69' ' ' LEU . 10.4 tp -61.35 119.86 9.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.956 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.7 tpp180 -127.43 138.85 53.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -71.13 122.85 20.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 38.5 mt -127.56 93.27 3.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.945 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 58.92 -174.32 3.28 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.457 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -142.54 170.57 15.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.903 0.382 . . . . 0.0 110.836 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.468 HG23 ' CG2' ' A' ' 104' ' ' VAL . 54.4 t -139.19 104.99 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.131 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.469 HG22 HG23 ' A' ' 101' ' ' THR . 45.1 t -115.68 113.43 43.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.403 ' CE1' ' CE1' ' A' ' 95' ' ' PHE . 53.2 t-80 -106.81 156.06 19.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 24.7 m -125.63 123.15 38.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.167 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.403 ' CE1' ' CE1' ' A' ' 93' ' ' HIS . 39.4 m-85 -109.15 -178.33 3.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.54 ' O ' ' N ' ' A' ' 98' ' ' ILE . 65.3 m -53.39 127.57 25.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.824 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.582 ' O ' ' CG ' ' A' ' 97' ' ' HIS . 3.0 p-80 34.42 30.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.81 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.552 HG22 ' N ' ' A' ' 99' ' ' LYS . 36.1 mt -145.38 159.89 12.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.552 ' N ' HG22 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -142.21 131.04 22.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.852 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.422 HD22 ' O ' ' A' ' 99' ' ' LYS . 2.8 mm? -119.47 149.76 41.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.971 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.469 HG23 HG22 ' A' ' 92' ' ' VAL . 18.3 m -138.36 115.09 10.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.171 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -114.05 138.82 49.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -101.75 115.97 31.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.468 ' CG2' HG23 ' A' ' 91' ' ' VAL . 60.1 t -70.6 127.15 32.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.074 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.504 ' HB3' HD11 ' A' ' 85' ' ' LEU . 13.4 m-85 -136.05 108.64 7.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.944 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -84.84 133.93 12.22 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.468 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.875 HD21 ' HG2' ' A' ' 81' ' ' PRO . 1.8 tm? -150.55 112.16 4.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.866 0.365 . . . . 0.0 110.894 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.47 ' N ' HD13 ' A' ' 107' ' ' LEU . . . -129.73 137.97 50.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.129 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 60.8 mt -73.85 114.98 12.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.966 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 179.98 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 N--CA 1.466 -0.142 0 CA-C-O 120.853 0.272 . . . . 0.0 112.34 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.455 ' O ' ' C ' ' A' ' 116' ' ' THR . 8.4 p -119.98 -40.42 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.142 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.455 ' C ' ' O ' ' A' ' 115' ' ' VAL . 20.7 p 33.76 42.9 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.076 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 24.7 m -162.06 119.89 2.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.876 ' CG2' ' HB3' ' A' ' 122' ' ' ALA . 11.1 p -142.93 137.19 14.76 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.568 0.699 . . . . 0.0 111.133 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.559 ' HD2' HG23 ' A' ' 118' ' ' VAL . 53.7 Cg_endo -69.78 166.53 27.3 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.688 2.259 . . . . 0.0 112.355 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 95.85 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.654 2.236 . . . . 0.0 112.329 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 145.51 -7.45 1.54 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.428 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.876 ' HB3' ' CG2' ' A' ' 118' ' ' VAL . . . -111.59 163.81 13.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.772 0.32 . . . . 0.0 111.126 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.612 ' HD3' HD23 ' A' ' 125' ' ' LEU . 11.9 ttm180 -146.2 138.84 25.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 29.1 m95 -107.22 101.12 10.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.807 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.612 HD23 ' HD3' ' A' ' 123' ' ' ARG . 2.4 pp -118.75 169.85 9.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' THR . . . . . 0.413 HG22 ' CG ' ' A' ' 35' ' ' GLN . 6.7 p -84.69 166.57 16.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.196 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -51.49 -53.98 31.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.972 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -54.85 -50.45 68.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.817 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -47.63 -56.92 6.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.838 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.614 ' CE2' ' CZ ' ' A' ' 53' ' ' PHE . 10.2 t80 -38.89 -61.27 0.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.93 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' HIS . . . . . 0.421 ' C ' ' O ' ' A' ' 130' ' ' PHE . 3.1 m-70 -36.85 -62.09 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 63.1 p -57.19 -38.48 73.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.091 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 130' ' ' PHE . . . -49.52 157.12 0.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -76.8 98.57 4.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.041 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.806 HG12 ' HB2' ' A' ' 139' ' ' MET . 1.1 t -129.29 145.91 35.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 14.7 t -74.13 154.69 39.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 98.7 m -41.95 -66.73 0.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.147 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.413 ' O ' HG11 ' A' ' 91' ' ' VAL . . . -38.3 -62.57 0.57 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' MET . . . . . 0.806 ' HB2' HG12 ' A' ' 135' ' ' VAL . 45.4 mmm -50.45 -52.84 34.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 32.5 mttt -49.69 -28.08 5.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.76 ' O ' HG23 ' A' ' 145' ' ' VAL . 0.5 OUTLIER -80.56 -25.84 38.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.808 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.519 HG21 HG21 ' A' ' 23' ' ' THR . 20.6 t -65.6 -26.4 38.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.12 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.522 ' CZ ' ' CD ' ' A' ' 147' ' ' GLN . 56.9 t80 -79.02 -61.07 2.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.423 ' HB3' ' NH1' ' A' ' 144' ' ' ARG . 0.6 OUTLIER -48.74 -37.03 17.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.915 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.76 HG23 ' O ' ' A' ' 141' ' ' LYS . 90.8 t -66.34 -37.49 79.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.076 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -73.61 -32.77 64.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.973 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' GLN . . . . . 0.522 ' CD ' ' CZ ' ' A' ' 143' ' ' PHE . 23.8 mt-30 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.206 0 CA-C-O 120.814 0.256 . . . . 0.0 112.33 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 16' ' ' PRO . 12.9 mmm180 -34.41 -66.35 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -84.51 102.37 12.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -144.45 113.31 6.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.839 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.572 ' HB3' ' CD1' ' A' ' 58' ' ' TRP . 68.2 m -112.77 148.77 34.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.41 ' OG ' ' CE2' ' A' ' 102' ' ' TYR . 8.9 p -150.67 152.07 33.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.875 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.432 ' HB2' ' CD ' ' A' ' 65' ' ' GLN . . . -121.72 104.67 9.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.641 HG21 HG21 ' A' ' 142' ' ' VAL . 6.8 t -105.49 148.83 26.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.2 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.619 ' HB2' HD21 ' A' ' 69' ' ' LEU . 42.4 t -134.18 151.04 51.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.3 t -94.92 131.22 42.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.427 HD13 HD11 ' A' ' 80' ' ' LEU . 39.9 tp -115.52 111.0 20.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.492 ' HB2' HG22 ' A' ' 36' ' ' ILE . 30.6 tt0 -121.04 154.0 36.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.502 ' NE2' HD12 ' A' ' 109' ' ' LEU . 1.0 OUTLIER -141.56 124.43 9.58 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.625 0.726 . . . . 0.0 110.878 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 118.97 6.0 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.717 2.278 . . . . 0.0 112.331 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -112.26 -145.5 9.74 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.54 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.05 -54.06 5.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.912 0.387 . . . . 0.0 111.151 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.2 mt -60.59 -50.54 73.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.975 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.03 -79.75 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.488 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.92 150.32 15.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.702 0.287 . . . . 0.0 111.175 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.429 ' HG3' ' C ' ' A' ' 125' ' ' LEU . 5.6 tt0 -139.94 138.19 35.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.874 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.492 HG22 ' HB2' ' A' ' 27' ' ' GLU . 3.9 pt -104.05 174.99 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.494 HD11 ' HB1' ' A' ' 122' ' ' ALA . 13.0 tp -108.02 151.42 25.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.456 ' CD2' HD21 ' A' ' 125' ' ' LEU . 10.2 tp -144.36 120.75 10.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.423 HG11 ' CE2' ' A' ' 76' ' ' TRP . 33.9 m -105.4 146.7 12.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -121.39 121.42 37.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-O 121.631 0.729 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.782 0.325 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.57 ' CZ3' ' HB3' ' A' ' 123' ' ' ARG . 98.7 m95 -70.13 131.05 43.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.96 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -167.46 161.97 14.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.939 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.667 ' CZ ' ' CE2' ' A' ' 130' ' ' PHE . 14.1 m-85 -66.42 152.37 94.7 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.677 0.751 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.82 142.78 48.6 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.672 2.248 . . . . 0.0 112.267 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.4 p -140.62 159.86 41.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.804 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.442 HG11 ' HA ' ' A' ' 69' ' ' LEU . 12.4 m -128.24 178.96 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.119 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 37.8 p -65.76 140.6 58.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.572 ' CD1' ' HB3' ' A' ' 20' ' ' SER . 89.7 t90 -64.85 151.34 45.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.512 ' OE1' HD23 ' A' ' 64' ' ' LEU . 25.3 mm-40 -140.08 136.86 17.44 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.678 0.752 . . . . 0.0 110.85 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.47 ' HA ' ' CH2' ' A' ' 58' ' ' TRP . 53.0 Cg_endo -69.86 -18.55 36.49 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.647 2.231 . . . . 0.0 112.305 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.8 m -100.74 132.84 45.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.829 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.479 ' OE1' ' N ' ' A' ' 63' ' ' GLN . 0.0 OUTLIER -54.11 -37.38 64.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.479 ' N ' ' OE1' ' A' ' 62' ' ' GLU . 25.8 tt0 -74.34 -65.48 0.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.512 HD23 ' OE1' ' A' ' 59' ' ' GLU . 10.0 mp -34.38 -41.17 0.11 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.432 ' CD ' ' HB2' ' A' ' 22' ' ' ALA . 6.2 tp60 -59.73 -49.74 76.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.478 ' CZ ' ' HB2' ' A' ' 66' ' ' ARG . 19.0 mtm105 -69.34 -32.95 72.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.7 mtpp -58.04 -52.56 65.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.79 -40.92 39.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.078 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.638 HD23 HD21 ' A' ' 85' ' ' LEU . 26.0 tp -46.18 -47.71 17.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.923 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 71' ' ' GLN . 74.5 mt -67.18 -49.63 63.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 70' ' ' LEU . 81.2 mt-30 -37.43 -52.62 1.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.976 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 75' ' ' ARG . 13.9 tt0 -61.18 -59.99 4.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 26.7 mt -38.41 -54.93 1.43 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.954 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -49.82 -40.42 41.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 72' ' ' GLU . 12.0 mmm180 -53.96 -30.88 48.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.57 ' CE3' ' HB2' ' A' ' 122' ' ' ALA . 76.3 m95 -88.3 -71.32 0.59 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -77.26 -72.43 0.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.068 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 152.1 -102.36 0.22 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.469 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.84 110.3 2.54 Favored 'Trans proline' 0 C--O 1.233 0.242 0 C-N-CA 122.71 2.273 . . . . 0.0 112.34 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.427 HD11 HD13 ' A' ' 26' ' ' LEU . 4.4 mm? -121.48 135.55 25.17 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.528 0.68 . . . . 0.0 110.979 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.854 ' HG2' HD21 ' A' ' 107' ' ' LEU . 53.5 Cg_endo -69.77 -172.06 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.631 2.221 . . . . 0.0 112.322 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -132.93 -61.74 0.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 11.4 p -60.59 -26.65 67.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.11 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -66.4 -35.24 79.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.638 HD21 HD23 ' A' ' 69' ' ' LEU . 30.9 tp -63.42 147.8 50.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.945 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -166.36 147.48 6.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.448 ' O ' HD23 ' A' ' 88' ' ' LEU . 20.7 t-80 -81.19 123.84 28.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.448 HD23 ' O ' ' A' ' 87' ' ' HIS . 34.2 mt -126.69 95.38 4.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.956 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.64 -172.76 27.54 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -150.32 171.13 17.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.891 0.377 . . . . 0.0 110.859 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 51.1 t -141.22 105.04 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 53.8 t -115.56 111.12 34.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.072 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 37.3 t60 -104.48 129.52 52.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 20.8 m -98.42 112.33 24.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.157 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -83.19 -175.55 5.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 37.4 m -49.51 -65.43 0.57 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.853 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -125.96 28.98 5.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.846 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 35.4 mt -143.3 147.79 19.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.128 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 29.5 tttm -127.19 112.82 15.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.874 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -99.26 144.29 28.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.951 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 54.9 m -127.48 109.54 11.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.41 ' CE2' ' OG ' ' A' ' 21' ' ' SER . 51.1 m-85 -108.9 149.52 29.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -113.89 113.33 24.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 66.4 t -72.23 128.72 35.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.066 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -133.23 147.77 51.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -119.28 136.84 12.18 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.854 HD21 ' HG2' ' A' ' 81' ' ' PRO . 1.5 tm? -156.68 116.49 3.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 0.0 110.898 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.557 ' N ' HD13 ' A' ' 107' ' ' LEU . . . -137.89 136.71 37.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.152 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.502 HD12 ' NE2' ' A' ' 28' ' ' GLN . 40.0 mt -76.88 106.63 8.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.935 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 48.2 tp10 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 179.947 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.485 ' HA ' ' NE2' ' A' ' 28' ' ' GLN . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.171 0 CA-C-O 120.816 0.257 . . . . 0.0 112.332 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.447 HG13 ' N ' ' A' ' 116' ' ' THR . 11.3 p -98.58 -41.68 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.447 ' N ' HG13 ' A' ' 115' ' ' VAL . 44.8 p 35.46 35.71 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.405 ' N ' ' O ' ' A' ' 115' ' ' VAL . 89.2 m -160.67 123.51 3.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.148 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.696 ' CG2' ' HB3' ' A' ' 122' ' ' ALA . 7.5 p -145.85 138.14 13.57 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.638 0.732 . . . . 0.0 111.136 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.616 ' HD2' HG23 ' A' ' 118' ' ' VAL . 53.0 Cg_endo -69.79 169.25 19.39 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.623 2.215 . . . . 0.0 112.302 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 110.56 2.57 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.759 2.306 . . . . 0.0 112.315 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 132.9 -22.14 4.09 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.486 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.696 ' HB3' ' CG2' ' A' ' 118' ' ' VAL . . . -103.04 141.54 35.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.774 0.321 . . . . 0.0 111.055 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.57 ' HB3' ' CZ3' ' A' ' 51' ' ' TRP . 13.6 ttm180 -123.34 143.36 50.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 27.5 m95 -109.19 103.36 12.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.938 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.456 HD21 ' CD2' ' A' ' 38' ' ' LEU . 1.1 pp -125.13 169.89 11.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 17.9 p -82.67 171.9 13.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -58.53 -46.55 86.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.938 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -62.6 -46.62 87.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -58.53 -28.98 65.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.865 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.667 ' CE2' ' CZ ' ' A' ' 53' ' ' PHE . 4.5 t80 -69.05 -45.5 70.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -50.44 -56.23 12.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 80.6 p -64.49 -43.58 93.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.181 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.595 ' O ' HG23 ' A' ' 135' ' ' VAL . . . -45.25 147.77 0.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.113 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.64 100.72 0.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.684 HG12 ' HB2' ' A' ' 139' ' ' MET . 3.1 t -130.85 143.17 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.117 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 17.5 m -67.99 154.06 42.42 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.606 HG22 ' HE3' ' A' ' 141' ' ' LYS . 32.7 m -47.69 -57.46 5.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -50.13 -63.03 1.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' MET . . . . . 0.684 ' HB2' HG12 ' A' ' 135' ' ' VAL . 35.7 mmm -48.4 -46.78 37.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -55.24 -30.02 59.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.606 ' HE3' HG22 ' A' ' 137' ' ' THR . 52.5 mttt -75.15 -36.07 61.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.91 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.641 HG21 HG21 ' A' ' 23' ' ' THR . 49.3 t -52.61 -25.29 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -79.69 -67.4 0.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.436 ' HB3' ' NH1' ' A' ' 144' ' ' ARG . 1.3 ptp180 -43.77 -36.85 2.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 71.4 t -67.19 -46.51 84.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -60.5 -45.02 95.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 179.966 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.198 0 CA-C-O 120.726 0.219 . . . . 0.0 112.375 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 16' ' ' PRO . 85.9 mtt180 -36.29 -57.04 0.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -101.61 100.41 10.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -141.9 113.49 7.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.3 m -118.38 136.13 53.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.784 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.8 m -149.21 151.25 33.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.864 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.412 ' CB ' ' OE1' ' A' ' 65' ' ' GLN . . . -115.57 106.92 14.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.168 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.8 t -100.37 149.27 23.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.487 ' HB2' HD21 ' A' ' 69' ' ' LEU . 10.0 t -132.64 146.32 51.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 68.9 t -100.86 117.9 46.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.632 HD12 ' N ' ' A' ' 27' ' ' GLU . 4.2 tp -102.49 124.2 47.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.632 ' N ' HD12 ' A' ' 26' ' ' LEU . 32.5 tt0 -131.46 146.08 52.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.489 HE22 HG12 ' A' ' 115' ' ' VAL . 11.3 tt0 -144.11 136.05 13.06 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.57 0.7 . . . . 0.0 110.945 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 125.19 11.84 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.714 2.276 . . . . 0.0 112.29 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -118.71 -139.67 6.15 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.508 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.27 -58.46 3.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.863 0.363 . . . . 0.0 111.132 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.8 mt -56.19 -50.9 69.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.974 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.4 -53.68 0.15 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -162.82 152.92 16.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.7 0.286 . . . . 0.0 111.105 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -149.23 140.12 22.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.473 HD12 ' HE1' ' A' ' 53' ' ' PHE . 3.7 pt -103.29 175.74 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.9 tp -110.41 134.27 52.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.937 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.5 ' CD2' HD21 ' A' ' 125' ' ' LEU . 9.7 tp -131.62 122.73 26.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.682 HG11 ' CE2' ' A' ' 76' ' ' TRP . 34.2 m -111.37 146.44 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.21 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -99.5 163.25 12.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.946 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.641 0.734 . . . . 0.0 110.894 -179.949 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.832 0.348 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 86.4 m95 -88.67 125.89 35.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -155.33 154.78 32.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.753 ' CZ ' ' CE1' ' A' ' 130' ' ' PHE . 16.2 m-85 -56.52 151.7 28.49 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.618 0.723 . . . . 0.0 110.928 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 142.68 48.94 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.717 2.278 . . . . 0.0 112.376 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.5 p -146.31 163.63 34.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.1 m -126.38 177.15 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.104 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.6 t -67.76 150.65 48.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.459 ' CG ' ' N ' ' A' ' 59' ' ' GLU . 75.4 t90 -58.92 168.02 1.41 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.897 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.459 ' N ' ' CG ' ' A' ' 58' ' ' TRP . 5.2 mm-40 -154.37 134.56 8.07 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.698 0.761 . . . . 0.0 110.803 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -22.41 32.18 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.667 2.244 . . . . 0.0 112.347 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.2 t -103.37 131.92 50.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -56.02 -28.2 56.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -80.24 -62.25 1.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.458 ' H ' HD13 ' A' ' 64' ' ' LEU . 1.9 mp -40.78 -37.3 0.74 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.431 ' NE2' ' HA ' ' A' ' 65' ' ' GLN . 2.3 tp-100 -60.47 -54.9 39.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.86 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 40.2 mtt180 -65.88 -39.35 90.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.817 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 32.1 mtpt -53.41 -54.86 30.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.92 -32.74 61.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.118 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.487 HD21 ' HB2' ' A' ' 24' ' ' CYS . 38.7 tp -53.68 -53.71 48.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 89.4 mt -63.42 -46.45 86.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -38.39 -40.73 0.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -70.86 -58.09 3.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.918 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 29.9 mt -41.58 -52.12 3.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -50.28 -38.15 39.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 60.4 mtt-85 -58.31 -29.91 66.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.682 ' CE2' HG11 ' A' ' 39' ' ' VAL . 75.9 m95 -88.85 -70.23 0.66 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.508 ' HA ' HG21 ' A' ' 115' ' ' VAL . . . -82.04 -72.76 0.42 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 155.82 -102.6 0.22 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.486 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.522 ' O ' HD22 ' A' ' 80' ' ' LEU . 54.2 Cg_endo -69.75 118.89 5.95 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.667 2.245 . . . . 0.0 112.393 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.522 HD22 ' O ' ' A' ' 79' ' ' PRO . 4.3 mm? -126.42 135.22 26.89 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.637 0.732 . . . . 0.0 110.863 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.726 ' HG2' HD21 ' A' ' 107' ' ' LEU . 52.9 Cg_endo -69.81 171.92 13.64 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.672 2.248 . . . . 0.0 112.337 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -117.45 -58.99 1.98 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.067 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 51.5 p -63.18 -31.45 72.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.151 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -57.34 -40.99 79.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.42 HD21 HD23 ' A' ' 69' ' ' LEU . 14.7 tp -56.64 137.94 53.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 -157.0 139.15 14.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.83 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.577 ' HB2' ' CE1' ' A' ' 105' ' ' TYR . 18.5 t-80 -75.86 120.03 20.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.508 ' O ' HG12 ' A' ' 145' ' ' VAL . 17.9 mt -123.66 93.96 4.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.25 -170.86 29.48 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.466 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.13 171.25 16.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.945 0.403 . . . . 0.0 110.838 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 13.8 t -139.94 105.05 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.095 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.1 t -115.51 103.82 15.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.506 ' ND1' ' CE1' ' A' ' 95' ' ' PHE . 61.0 t-80 -99.2 126.69 45.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.4 p -93.98 113.25 25.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.506 ' CE1' ' ND1' ' A' ' 93' ' ' HIS . 57.3 m-85 -102.54 -178.33 3.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.487 ' O ' ' CG ' ' A' ' 97' ' ' HIS . 45.3 m -47.65 107.86 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.487 ' CG ' ' O ' ' A' ' 96' ' ' SER . 19.5 p-80 44.02 36.61 1.49 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.417 HG13 ' C ' ' A' ' 97' ' ' HIS . 23.9 mt -143.28 142.98 25.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.065 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 34.1 tttt -127.59 112.36 14.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -98.76 142.26 30.53 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 20.5 m -122.4 97.79 5.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.188 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -101.96 131.84 48.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.982 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -99.67 113.42 25.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.561 HG13 HG13 ' A' ' 142' ' ' VAL . 59.0 t -73.69 125.21 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.161 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.577 ' CE1' ' HB2' ' A' ' 87' ' ' HIS . 27.9 m-85 -136.74 120.11 16.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.939 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -92.74 143.62 16.6 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.726 HD21 ' HG2' ' A' ' 81' ' ' PRO . 0.4 OUTLIER -154.82 114.62 3.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.769 0.319 . . . . 0.0 110.903 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.627 ' N ' HD13 ' A' ' 107' ' ' LEU . . . -127.43 146.6 50.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.169 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.416 HD21 ' HD3' ' A' ' 81' ' ' PRO . 71.7 mt -92.68 115.45 28.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 179.976 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.153 0 CA-C-O 120.878 0.283 . . . . 0.0 112.315 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.532 HG22 ' O ' ' A' ' 117' ' ' THR . 7.1 p -120.53 -44.89 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.179 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.465 ' N ' HG13 ' A' ' 115' ' ' VAL . 33.9 p 38.25 33.21 0.06 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.532 ' O ' HG22 ' A' ' 115' ' ' VAL . 4.3 t -165.33 148.82 8.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.639 ' CG2' ' HB3' ' A' ' 122' ' ' ALA . 6.4 p -157.26 137.5 8.91 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.644 0.735 . . . . 0.0 111.11 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.613 ' HD2' HG23 ' A' ' 118' ' ' VAL . 53.6 Cg_endo -69.74 169.17 19.5 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.662 2.241 . . . . 0.0 112.356 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.87 112.91 3.22 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.617 2.211 . . . . 0.0 112.362 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 128.23 -9.36 6.62 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.53 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.669 ' HB2' ' CE3' ' A' ' 76' ' ' TRP . . . -118.45 156.61 28.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.805 0.336 . . . . 0.0 111.116 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.45 ' NE ' HD23 ' A' ' 125' ' ' LEU . 11.7 ptm180 -140.99 144.87 35.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 28.9 m95 -109.95 111.44 22.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.5 HD21 ' CD2' ' A' ' 38' ' ' LEU . 1.9 pp -127.69 169.9 13.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.8 p -82.2 158.42 23.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -49.61 -35.35 20.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -70.73 -51.86 24.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -50.35 -46.46 55.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.753 ' CE1' ' CZ ' ' A' ' 53' ' ' PHE . 11.7 t80 -46.15 -60.5 2.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 130' ' ' PHE . 4.4 m-70 -37.99 -63.83 0.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 70.9 p -57.59 -42.8 83.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 130' ' ' PHE . . . -45.84 152.91 0.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.098 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -69.48 101.45 1.59 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.066 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.566 HG12 ' HB2' ' A' ' 139' ' ' MET . 5.0 t -131.62 147.35 32.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 41.5 t -71.95 146.05 48.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.591 HG22 ' HD2' ' A' ' 141' ' ' LYS . 96.3 m -39.32 -65.92 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.171 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -38.21 -72.0 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.081 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' MET . . . . . 0.566 ' HB2' HG12 ' A' ' 135' ' ' VAL . 42.1 mmm -41.1 -58.42 1.77 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.91 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 140' ' ' LYS . . . . . 0.408 ' CG ' ' HB ' ' A' ' 135' ' ' VAL . 3.4 mtpm? -44.35 -35.03 2.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.948 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.591 ' HD2' HG22 ' A' ' 137' ' ' THR . 6.7 mtpm? -72.85 -35.2 67.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.561 HG13 HG13 ' A' ' 104' ' ' VAL . 24.2 t -55.85 -19.72 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -76.6 -66.68 0.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 33.4 ptt85 -45.89 -28.82 1.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.508 HG12 ' O ' ' A' ' 88' ' ' LEU . 86.4 t -78.1 -36.76 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.136 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -72.54 -32.13 65.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.893 -179.977 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 17' ' ' ARG . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.139 0 CA-C-O 120.754 0.231 . . . . 0.0 112.321 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 16' ' ' PRO . 52.6 mtt180 -38.21 -62.63 0.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -83.06 100.23 10.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -146.68 113.48 6.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.481 ' HB2' ' CB ' ' A' ' 58' ' ' TRP . 25.5 m -117.98 146.87 43.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.7 m -151.81 153.05 33.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.836 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.499 ' CB ' ' CD ' ' A' ' 65' ' ' GLN . . . -117.42 108.23 15.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.122 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.538 HG21 HG21 ' A' ' 142' ' ' VAL . 9.0 t -104.91 146.26 29.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.442 ' HB2' HD11 ' A' ' 69' ' ' LEU . 31.2 t -127.03 161.92 27.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.828 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 95.4 t -115.12 111.08 34.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.101 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 38.6 tp -96.4 117.73 31.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.927 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.405 ' HG2' ' N ' ' A' ' 28' ' ' GLN . 13.1 tt0 -123.7 144.8 49.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.878 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.405 ' N ' ' HG2' ' A' ' 27' ' ' GLU . 0.8 OUTLIER -127.31 128.96 23.98 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.647 0.736 . . . . 0.0 110.863 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 119.31 6.28 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.685 2.256 . . . . 0.0 112.358 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -125.64 -173.06 13.55 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.459 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.44 -54.9 40.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.84 0.352 . . . . 0.0 111.096 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 34.0 mt -52.93 -50.18 64.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.06 -66.59 0.15 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -170.1 135.39 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.746 0.307 . . . . 0.0 111.065 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -125.95 141.79 51.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.856 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.658 HD12 ' HE1' ' A' ' 53' ' ' PHE . 8.2 pt -105.71 173.91 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.119 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.513 HD13 ' NE1' ' A' ' 124' ' ' TRP . 42.6 tp -108.76 137.62 46.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.435 ' CD2' ' HB3' ' A' ' 51' ' ' TRP . 9.8 tp -133.44 124.89 27.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.2 m -112.06 137.28 45.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -76.36 152.67 36.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.907 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 121.611 0.719 . . . . 0.0 110.859 -179.947 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.842 0.353 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.435 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 83.1 m95 -81.41 146.0 30.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -174.22 160.14 3.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.696 ' CZ ' ' CE1' ' A' ' 130' ' ' PHE . 22.0 m-85 -68.7 149.42 97.95 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.655 0.74 . . . . 0.0 110.86 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 143.31 50.33 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.673 2.249 . . . . 0.0 112.33 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 99.0 p -143.69 165.44 27.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.85 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 18.2 m -128.13 178.36 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.169 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.8 p -65.41 149.36 50.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.167 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.481 ' CB ' ' HB2' ' A' ' 20' ' ' SER . 88.9 t90 -68.62 147.1 52.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.861 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -132.92 134.87 25.02 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.6 0.714 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 -23.47 31.15 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.639 2.226 . . . . 0.0 112.387 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.1 t -100.54 130.69 46.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.427 ' HG2' ' N ' ' A' ' 63' ' ' GLN . 0.3 OUTLIER -50.93 -36.58 39.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.475 ' O ' ' N ' ' A' ' 66' ' ' ARG . 7.3 tp60 -72.39 -67.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 63' ' ' GLN . 6.8 mp -34.25 -42.48 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.499 ' CD ' ' CB ' ' A' ' 22' ' ' ALA . 3.7 tp-100 -58.36 -48.76 79.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 63' ' ' GLN . 20.1 mtt180 -71.46 -39.64 70.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.7 mttm -55.42 -46.21 76.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.84 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -82.59 -36.61 26.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.442 HD11 ' HB2' ' A' ' 24' ' ' CYS . 50.4 tp -46.82 -51.94 15.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.912 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.545 HD22 ' HB3' ' A' ' 80' ' ' LEU . 76.6 mt -68.82 -43.95 74.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -41.15 -45.8 2.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -71.0 -60.53 2.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.9 mt -38.22 -55.28 1.33 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -46.13 -43.22 14.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.962 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -51.12 -32.75 23.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.85 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -86.09 -75.09 0.39 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -72.81 -71.62 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.075 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 150.06 -100.61 0.21 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.486 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.477 ' O ' HD22 ' A' ' 80' ' ' LEU . 53.4 Cg_endo -69.84 109.23 2.27 Favored 'Trans proline' 0 C--O 1.233 0.251 0 C-N-CA 122.688 2.259 . . . . 0.0 112.36 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.545 ' HB3' HD22 ' A' ' 70' ' ' LEU . 4.5 mm? -123.18 126.45 25.94 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.659 0.742 . . . . 0.0 110.88 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.401 ' HG2' HD21 ' A' ' 107' ' ' LEU . 53.8 Cg_endo -69.71 163.01 39.83 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.662 2.242 . . . . 0.0 112.389 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -102.97 -66.97 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.081 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 84' ' ' HIS . 90.1 m -45.67 -56.71 4.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.443 ' C ' ' O ' ' A' ' 83' ' ' THR . 18.6 m170 -34.06 -57.05 0.48 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.435 HD21 HD23 ' A' ' 69' ' ' LEU . 63.5 tp -39.06 135.97 0.86 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.0 mtp85 -157.62 130.29 7.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.425 ' HB2' ' CE1' ' A' ' 105' ' ' TYR . 19.2 t-80 -69.97 123.3 21.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 29.6 mt -128.27 97.85 4.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 65.81 -173.49 22.1 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.456 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -147.98 171.04 16.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.861 0.362 . . . . 0.0 110.856 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.444 HG23 ' CG2' ' A' ' 104' ' ' VAL . 74.0 t -141.56 106.56 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.158 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' ' 100' ' ' LEU . 93.5 t -120.8 107.58 20.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -99.06 117.25 33.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 24.7 m -82.44 128.69 34.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.166 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -105.28 174.79 5.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 34.6 m -46.68 -68.91 0.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -119.72 27.13 8.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.409 HG22 ' N ' ' A' ' 99' ' ' LYS . 56.9 mt -143.35 152.92 16.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.409 ' N ' HG22 ' A' ' 98' ' ' ILE . 50.7 tttt -135.06 113.03 11.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.605 ' O ' HG13 ' A' ' 92' ' ' VAL . 4.0 mm? -99.75 139.04 36.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.534 ' HA ' HG22 ' A' ' 92' ' ' VAL . 99.1 m -127.12 99.75 5.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.158 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -98.55 147.5 24.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -109.62 116.18 31.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.444 ' CG2' HG23 ' A' ' 91' ' ' VAL . 84.7 t -72.78 124.4 29.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.176 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.425 ' CE1' ' HB2' ' A' ' 87' ' ' HIS . 28.5 m-85 -132.33 130.4 40.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -103.72 140.64 14.99 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.491 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.485 ' C ' HD13 ' A' ' 107' ' ' LEU . 1.0 OUTLIER -155.95 106.41 2.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.813 0.339 . . . . 0.0 110.909 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -126.03 141.41 51.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.086 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 78.6 mt -80.03 104.29 10.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.956 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.947 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.406 ' HB2' HG23 ' A' ' 116' ' ' THR . 54.0 Cg_endo . . . . . 0 N--CA 1.465 -0.167 0 CA-C-O 120.776 0.24 . . . . 0.0 112.35 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.434 ' O ' ' C ' ' A' ' 116' ' ' THR . 7.2 p -98.79 -40.55 9.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.155 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 115' ' ' VAL . 30.0 p 35.33 36.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 90.1 m -152.56 143.05 22.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.219 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.712 ' CG2' ' HB3' ' A' ' 122' ' ' ALA . 14.3 p -168.6 134.17 1.47 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.649 0.738 . . . . 0.0 111.149 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.401 ' HD2' HG23 ' A' ' 118' ' ' VAL . 53.5 Cg_endo -69.83 170.05 17.57 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.655 2.237 . . . . 0.0 112.327 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 3.26 2.86 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.752 2.302 . . . . 0.0 112.378 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -115.45 20.31 13.87 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.486 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.712 ' HB3' ' CG2' ' A' ' 118' ' ' VAL . . . -142.61 160.54 40.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.747 0.308 . . . . 0.0 111.114 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -144.51 138.81 27.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' TRP . . . . . 0.513 ' NE1' HD13 ' A' ' 37' ' ' LEU . 33.7 m95 -106.11 107.49 18.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.947 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.7 pp -124.72 170.24 11.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 34.2 p -77.62 174.0 11.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.128 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -62.94 -45.75 90.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -63.21 -63.82 1.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -37.98 -44.11 0.77 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.878 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.696 ' CE1' ' CZ ' ' A' ' 53' ' ' PHE . 19.6 t80 -49.54 -58.54 5.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.951 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' HIS . . . . . 0.427 ' C ' ' O ' ' A' ' 130' ' ' PHE . 21.0 m-70 -35.74 -58.24 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.89 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 48.8 p -60.59 -43.48 97.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.162 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.822 ' O ' HG23 ' A' ' 135' ' ' VAL . . . -44.75 130.03 7.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.096 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -54.78 102.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.084 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.822 HG23 ' O ' ' A' ' 133' ' ' ALA . 11.3 t -132.62 145.76 33.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.074 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 8.2 t -65.07 144.64 57.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.879 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 99.7 m -40.57 -63.73 0.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.152 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -42.58 -65.64 0.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.079 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' MET . . . . . 0.642 ' HB2' HG12 ' A' ' 135' ' ' VAL . 40.9 mmm -46.61 -51.81 14.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.871 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 140' ' ' LYS . . . . . 0.436 ' CG ' ' HB ' ' A' ' 135' ' ' VAL . 17.5 mtpt -51.12 -34.9 32.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.429 ' HA ' ' CD ' ' A' ' 144' ' ' ARG . 18.8 mtpp -73.54 -34.3 65.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.538 HG21 HG21 ' A' ' 23' ' ' THR . 79.2 t -51.91 -29.73 11.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.163 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.461 ' O ' ' N ' ' A' ' 146' ' ' TYR . 64.8 t80 -75.08 -66.9 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.437 ' HB3' ' NH1' ' A' ' 144' ' ' ARG . 1.2 ptp180 -41.57 -42.12 2.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.821 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 58.0 t -64.69 -34.88 72.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 146' ' ' TYR . . . . . 0.461 ' N ' ' O ' ' A' ' 143' ' ' PHE . 2.2 t80 -71.61 -52.91 15.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.942 179.96 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.218 0 CA-C-O 120.73 0.221 . . . . 0.0 112.31 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 16' ' ' PRO . 11.1 mmt85 -34.31 -68.05 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.942 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -80.58 100.32 8.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -143.5 113.56 7.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.816 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.0 m -125.59 146.26 49.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.9 m -153.46 157.4 39.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.416 ' HB2' ' CD ' ' A' ' 65' ' ' GLN . . . -112.88 115.02 27.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.092 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.533 HG21 HG21 ' A' ' 142' ' ' VAL . 10.0 t -110.82 145.56 37.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.527 ' HB2' HD21 ' A' ' 69' ' ' LEU . 45.8 t -130.19 158.06 40.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.1 t -108.18 122.53 62.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.077 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.502 HD13 HD11 ' A' ' 80' ' ' LEU . 60.9 tp -106.22 116.57 32.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.835 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.474 ' HB2' HG22 ' A' ' 36' ' ' ILE . 31.7 tt0 -125.37 139.33 53.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -130.18 121.97 19.9 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.602 0.715 . . . . 0.0 110.902 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 127.29 14.38 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.638 2.225 . . . . 0.0 112.407 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -122.19 -166.88 12.91 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.47 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.2 -44.22 97.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.781 0.324 . . . . 0.0 111.07 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.2 mt -70.52 -42.39 71.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.07 -96.59 0.11 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.491 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -164.64 119.56 1.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.686 0.279 . . . . 0.0 111.107 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -112.08 164.2 13.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.474 HG22 ' HB2' ' A' ' 27' ' ' GLU . 3.9 pt -109.68 176.53 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.168 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.413 HD13 ' NE1' ' A' ' 124' ' ' TRP . 11.7 tp -109.45 142.95 39.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.979 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.456 HD23 ' HB3' ' A' ' 51' ' ' TRP . 10.1 tp -137.41 129.48 29.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.6 m -114.34 147.19 17.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.097 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -103.13 173.46 6.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.97 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.5 mmt85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 121.593 0.711 . . . . 0.0 110.82 -179.861 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.0 mm? . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.82 0.343 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.496 ' CE3' ' CD ' ' A' ' 123' ' ' ARG . 86.4 m95 -110.41 113.29 25.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.462 ' CB ' ' HG3' ' A' ' 139' ' ' MET . 2.6 pm0 -138.24 176.39 8.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.837 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.527 ' CZ ' ' CE2' ' A' ' 130' ' ' PHE . 12.8 m-85 -75.51 150.58 84.72 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.638 0.733 . . . . 0.0 110.871 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 143.06 49.84 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.718 2.278 . . . . 0.0 112.365 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 89.4 p -146.61 159.99 42.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.58 HG12 ' CB ' ' A' ' 72' ' ' GLU . 10.3 m -124.02 179.63 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.106 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 29.6 p -64.83 136.41 56.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.491 ' CG ' ' N ' ' A' ' 59' ' ' GLU . 78.7 t90 -56.86 169.29 0.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.92 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.491 ' N ' ' CG ' ' A' ' 58' ' ' TRP . 7.5 mm-40 -152.61 135.69 9.5 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.649 0.738 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.443 ' HA ' ' CH2' ' A' ' 58' ' ' TRP . 53.5 Cg_endo -69.71 -19.89 35.77 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.682 2.255 . . . . 0.0 112.344 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -96.67 154.36 17.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.846 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -75.48 -27.75 58.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 43.6 tp60 -85.86 -57.43 3.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.9 mp -42.9 -39.48 2.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.416 ' CD ' ' HB2' ' A' ' 22' ' ' ALA . 18.7 tp60 -54.3 -51.21 65.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 55.1 mtt180 -70.05 -43.68 70.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -43.08 -49.16 6.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 70' ' ' LEU . . . -81.76 -53.17 6.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.109 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.547 HD23 HD21 ' A' ' 85' ' ' LEU . 59.3 tp -34.3 -34.72 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.661 HD22 ' HB3' ' A' ' 80' ' ' LEU . 68.1 mt -86.94 -49.89 7.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' ' 68' ' ' ALA . 2.8 pt20 -41.03 -34.62 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.58 ' CB ' HG12 ' A' ' 56' ' ' VAL . 2.6 tp10 -77.64 -57.49 3.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 18.0 mt -39.74 -49.09 2.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -51.62 -47.79 63.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 31.7 mtp180 -49.19 -27.1 3.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 90.1 m95 -90.37 -72.91 0.55 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.409 ' CA ' HG21 ' A' ' 115' ' ' VAL . . . -79.05 -70.04 0.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.099 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 155.21 -104.87 0.26 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.507 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.554 ' O ' HD22 ' A' ' 80' ' ' LEU . 54.3 Cg_endo -69.69 119.6 6.52 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.644 2.23 . . . . 0.0 112.418 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.661 ' HB3' HD22 ' A' ' 70' ' ' LEU . 4.3 mm? -127.35 131.3 23.77 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.579 0.704 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.908 ' HG2' HD21 ' A' ' 107' ' ' LEU . 53.8 Cg_endo -69.71 179.21 3.83 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.7 2.266 . . . . 0.0 112.347 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -124.97 -61.21 1.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 40.9 p -54.0 -49.53 68.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 30.6 m170 -46.98 -47.74 21.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.547 HD21 HD23 ' A' ' 69' ' ' LEU . 47.4 tp -44.45 134.16 5.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.955 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 56.0 mtt180 -156.44 133.36 10.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 105' ' ' TYR . 22.1 t-80 -73.45 125.91 28.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 21.6 mt -128.04 95.11 4.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.954 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.429 ' O ' ' NE2' ' A' ' 87' ' ' HIS . . . 70.65 -174.95 38.31 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.453 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.401 ' HA ' HG23 ' A' ' 104' ' ' VAL . 3.7 pt-20 -147.76 168.75 21.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.848 0.356 . . . . 0.0 110.93 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.552 HG23 ' CG2' ' A' ' 104' ' ' VAL . 76.2 t -137.35 106.1 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.189 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.463 HG22 ' HA ' ' A' ' 101' ' ' THR . 54.2 t -119.05 103.08 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.079 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 21.1 t60 -98.58 111.09 23.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 27.8 m -82.49 109.73 16.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -81.44 -175.93 5.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.8 m -54.47 -67.02 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -119.43 25.8 9.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 46.6 mt -142.28 147.83 20.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.107 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 51.5 tttt -127.23 110.0 12.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -98.29 140.04 33.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.95 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.463 ' HA ' HG22 ' A' ' 92' ' ' VAL . 91.0 m -128.85 102.8 6.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.163 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -103.33 147.68 26.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.97 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -109.93 113.14 25.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.552 ' CG2' HG23 ' A' ' 91' ' ' VAL . 60.8 t -71.63 124.32 27.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.57 ' CE1' ' HB2' ' A' ' 87' ' ' HIS . 24.1 m-85 -131.08 138.54 49.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.944 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -107.47 142.69 15.84 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.517 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.908 HD21 ' HG2' ' A' ' 81' ' ' PRO . 1.7 tm? -161.69 125.81 3.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.835 0.35 . . . . 0.0 110.847 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.7 ' N ' HD13 ' A' ' 107' ' ' LEU . . . -145.21 158.25 43.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.177 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 87.3 mt -96.36 120.0 35.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 179.929 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo . . . . . 0 N--CA 1.465 -0.179 0 CA-C-O 120.818 0.257 . . . . 0.0 112.412 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.48 ' O ' ' N ' ' A' ' 117' ' ' THR . 7.7 p -100.84 -39.82 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.449 ' C ' ' O ' ' A' ' 115' ' ' VAL . 25.5 p 33.83 34.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.159 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.48 ' N ' ' O ' ' A' ' 115' ' ' VAL . 18.4 m -155.38 129.76 8.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.556 HG23 ' HD2' ' A' ' 119' ' ' PRO . 8.4 p -164.93 137.44 3.59 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.584 0.707 . . . . 0.0 111.114 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.556 ' HD2' HG23 ' A' ' 118' ' ' VAL . 53.6 Cg_endo -69.76 164.26 35.22 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.644 2.229 . . . . 0.0 112.346 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 2.77 3.21 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.67 2.247 . . . . 0.0 112.374 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -107.72 22.31 28.41 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.468 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.418 ' HB3' ' CG2' ' A' ' 118' ' ' VAL . . . -146.06 173.07 12.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.777 0.323 . . . . 0.0 111.113 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.496 ' CD ' ' CE3' ' A' ' 51' ' ' TRP . 14.0 ptm180 -155.14 139.23 16.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' TRP . . . . . 0.413 ' NE1' HD13 ' A' ' 37' ' ' LEU . 33.8 m95 -103.33 103.58 13.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.456 HD23 ' NE ' ' A' ' 123' ' ' ARG . 1.3 pp -121.57 167.88 12.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 7.9 p -79.45 163.92 24.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.159 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -53.95 -42.74 69.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -65.63 -54.24 30.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.909 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -47.3 -34.41 6.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.928 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.527 ' CE2' ' CZ ' ' A' ' 53' ' ' PHE . 4.0 t80 -64.73 -56.79 11.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 130' ' ' PHE . 8.4 m-70 -37.56 -54.02 1.17 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 74.9 p -69.75 -46.22 66.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.597 ' O ' HG23 ' A' ' 135' ' ' VAL . . . -39.37 144.77 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.162 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.56 104.81 1.07 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.104 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.639 HG12 ' HB2' ' A' ' 139' ' ' MET . 2.6 t -132.82 149.42 31.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.183 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 36.1 m -67.96 151.19 47.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.82 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 97.8 m -46.81 -55.6 7.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.134 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -50.82 -66.35 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.158 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' MET . . . . . 0.639 ' HB2' HG12 ' A' ' 135' ' ' VAL . 38.0 mmm -46.32 -47.97 18.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.947 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 14.6 mtpt -50.4 -34.83 25.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.872 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 19.7 mttp -74.42 -34.41 63.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.533 HG21 HG21 ' A' ' 23' ' ' THR . 35.7 t -54.81 -16.77 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.14 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.575 ' CE1' ' HG3' ' A' ' 147' ' ' GLN . 46.2 t80 -91.65 -69.38 0.74 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.56 ' HD2' HG23 ' A' ' 145' ' ' VAL . 0.0 OUTLIER -40.0 -33.31 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.819 -179.846 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.56 HG23 ' HD2' ' A' ' 144' ' ' ARG . 77.9 t -75.26 -41.25 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.077 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 146' ' ' TYR . . . . . 0.445 ' N ' ' O ' ' A' ' 143' ' ' PHE . 2.0 t80 -69.49 -32.47 71.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.944 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 147' ' ' GLN . . . . . 0.575 ' HG3' ' CE1' ' A' ' 143' ' ' PHE . 37.9 mm-40 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.168 0 CA-C-O 120.696 0.206 . . . . 0.0 112.344 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 16' ' ' PRO . 40.6 mtp180 -37.29 -60.76 0.64 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -87.32 100.3 12.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.802 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -144.04 113.6 7.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.5 m -121.5 143.5 49.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.4 m -147.77 154.5 40.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.498 ' CB ' ' OE1' ' A' ' 65' ' ' GLN . . . -116.45 111.55 20.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.067 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.5 t -108.25 145.61 34.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.196 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.443 ' HB2' HD21 ' A' ' 69' ' ' LEU . 34.2 t -128.28 160.14 33.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 96.6 t -114.52 107.68 23.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.163 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.2 tp -91.55 126.92 36.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.56 ' HB2' HG22 ' A' ' 36' ' ' ILE . 29.5 tt0 -147.23 157.88 43.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -146.8 151.02 41.21 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.59 0.71 . . . . 0.0 110.92 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 119.81 6.7 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.658 2.239 . . . . 0.0 112.362 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -111.11 -150.75 11.99 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.548 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.68 -57.73 2.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.869 0.366 . . . . 0.0 111.114 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.2 mt -65.61 -44.7 85.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.91 -76.67 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.454 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -170.68 142.59 2.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.66 0.267 . . . . 0.0 111.131 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.43 ' HG3' ' C ' ' A' ' 125' ' ' LEU . 36.4 tt0 -124.25 130.56 52.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.938 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.56 HG22 ' HB2' ' A' ' 27' ' ' GLU . 5.7 pt -95.38 177.02 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.194 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.742 HD13 ' NE1' ' A' ' 124' ' ' TRP . 32.2 tp -109.8 142.54 40.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.947 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.573 ' CD2' HD21 ' A' ' 125' ' ' LEU . 10.0 tp -138.62 121.3 16.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.976 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.0 m -109.53 169.81 3.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.065 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.478 ' HG3' ' CE3' ' A' ' 51' ' ' TRP . 45.2 mt-30 -104.01 163.87 12.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.946 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 121.65 0.738 . . . . 0.0 110.852 -179.942 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.777 0.322 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.625 ' O ' HG13 ' A' ' 135' ' ' VAL . 98.1 m95 -107.21 110.64 22.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.511 ' N ' ' CD ' ' A' ' 52' ' ' GLU . 0.8 OUTLIER -143.57 165.7 26.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.581 ' CZ ' ' CZ ' ' A' ' 130' ' ' PHE . 22.2 m-85 -71.83 151.94 93.2 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.686 0.755 . . . . 0.0 110.825 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 142.09 46.73 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.686 2.257 . . . . 0.0 112.288 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.8 p -145.94 161.56 39.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.817 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.412 ' CG1' ' HB2' ' A' ' 72' ' ' GLU . 12.2 m -124.42 174.84 7.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.156 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 29.1 p -62.05 143.46 56.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.115 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.428 ' CG ' ' N ' ' A' ' 59' ' ' GLU . 72.0 t90 -57.72 167.69 1.05 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.428 ' N ' ' CG ' ' A' ' 58' ' ' TRP . 55.0 mm-40 -156.85 132.26 5.6 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.66 0.743 . . . . 0.0 110.883 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 -19.47 35.69 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.68 2.253 . . . . 0.0 112.302 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -104.92 126.93 52.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.401 ' HG2' ' N ' ' A' ' 63' ' ' GLN . 3.1 pt-20 -49.93 -35.35 23.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.922 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.401 ' N ' ' HG2' ' A' ' 62' ' ' GLU . 19.2 tt0 -72.34 -66.58 0.63 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.0 mp -38.05 -38.25 0.31 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.498 ' OE1' ' CB ' ' A' ' 22' ' ' ALA . 3.3 tp-100 -62.55 -53.55 53.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.524 ' HG2' HD21 ' A' ' 85' ' ' LEU . 74.3 mtm180 -65.27 -42.31 93.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -54.31 -49.6 69.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.95 -38.17 57.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.443 HD21 ' HB2' ' A' ' 24' ' ' CYS . 47.1 tp -49.43 -60.3 2.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.957 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.63 HD22 ' HB3' ' A' ' 80' ' ' LEU . 87.4 mt -55.77 -54.57 42.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 70' ' ' LEU . 31.7 mm-40 -35.82 -41.64 0.23 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.412 ' HB2' ' CG1' ' A' ' 56' ' ' VAL . 20.4 tp10 -71.87 -55.62 7.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 24.2 mt -44.63 -46.89 10.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -54.43 -44.66 72.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -53.44 -30.14 38.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.5 ' CE3' ' HB2' ' A' ' 122' ' ' ALA . 91.9 m95 -88.21 -69.44 0.7 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.692 ' HB1' HG21 ' A' ' 115' ' ' VAL . . . -79.82 -72.35 0.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.085 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 155.39 -105.21 0.27 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.446 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.548 ' O ' HD22 ' A' ' 80' ' ' LEU . 53.5 Cg_endo -69.7 115.11 3.93 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.735 2.29 . . . . 0.0 112.339 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.63 ' HB3' HD22 ' A' ' 70' ' ' LEU . 4.3 mm? -124.95 133.45 24.82 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.652 0.739 . . . . 0.0 110.918 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.716 ' HG2' HD21 ' A' ' 107' ' ' LEU . 54.3 Cg_endo -69.74 178.94 4.06 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.607 2.205 . . . . 0.0 112.393 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -118.76 -64.01 1.33 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.014 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 84' ' ' HIS . 66.7 p -56.85 -50.0 73.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.187 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.44 ' C ' ' O ' ' A' ' 83' ' ' THR . 14.2 m-70 -34.69 -54.42 0.55 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.524 HD21 ' HG2' ' A' ' 66' ' ' ARG . 55.7 tp -42.65 140.97 1.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.952 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 26.3 ptt-85 -160.64 131.76 5.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.959 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 33.2 t-80 -68.47 122.4 18.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 19.9 mt -128.8 93.77 3.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.958 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 65.81 -178.19 12.56 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.477 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -145.22 171.23 14.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.906 0.384 . . . . 0.0 110.89 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 57.0 t -143.25 115.8 3.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.645 HG22 ' HA ' ' A' ' 101' ' ' THR . 65.2 t -125.42 113.2 34.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.216 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 61.7 t60 -99.55 112.08 24.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 32.1 m -81.42 101.91 10.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.443 ' CD2' HD23 ' A' ' 100' ' ' LEU . 32.4 m-85 -71.77 -179.59 2.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 71.4 m -59.06 -52.22 66.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.821 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.424 ' C ' HG13 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -130.57 24.38 5.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.449 HG22 ' N ' ' A' ' 99' ' ' LYS . 43.3 mt -143.5 155.18 16.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.449 ' N ' HG22 ' A' ' 98' ' ' ILE . 19.0 tttp -130.03 115.02 16.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.63 ' O ' HG13 ' A' ' 92' ' ' VAL . 4.3 mm? -102.5 135.57 43.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.99 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.645 ' HA ' HG22 ' A' ' 92' ' ' VAL . 89.6 m -122.84 97.84 5.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.119 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -96.15 152.68 18.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.949 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -115.29 114.36 25.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.889 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.611 HG13 HG13 ' A' ' 142' ' ' VAL . 58.2 t -74.38 124.77 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.196 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -133.93 136.65 44.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -112.38 125.5 7.16 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.505 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.716 HD21 ' HG2' ' A' ' 81' ' ' PRO . 2.1 tm? -134.95 103.42 5.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.363 . . . . 0.0 110.958 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -119.63 129.09 54.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.066 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 67.9 mt -75.18 101.54 4.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.947 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 N--CA 1.466 -0.139 0 CA-C-O 120.865 0.277 . . . . 0.0 112.344 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.692 HG21 ' HB1' ' A' ' 77' ' ' ALA . 7.6 p -110.85 -51.43 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.199 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.572 ' N ' HG13 ' A' ' 115' ' ' VAL . 3.3 t 31.95 38.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.123 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.487 ' H ' HG22 ' A' ' 115' ' ' VAL . 77.3 m -151.52 127.36 10.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.153 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.604 ' CG2' ' HB3' ' A' ' 122' ' ' ALA . 13.3 p -151.72 134.17 8.62 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.586 0.707 . . . . 0.0 111.102 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.435 ' HD2' HG23 ' A' ' 118' ' ' VAL . 53.9 Cg_endo -69.71 169.75 18.12 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.672 2.248 . . . . 0.0 112.408 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 3.24 2.9 Favored 'Trans proline' 0 C--N 1.34 0.119 0 C-N-CA 122.635 2.224 . . . . 0.0 112.363 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -110.62 9.31 30.28 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.547 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.604 ' HB3' ' CG2' ' A' ' 118' ' ' VAL . . . -139.22 172.82 12.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.799 0.333 . . . . 0.0 111.064 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -151.99 141.52 21.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' TRP . . . . . 0.742 ' NE1' HD13 ' A' ' 37' ' ' LEU . 34.0 m95 -108.61 112.26 24.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.961 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.573 HD21 ' CD2' ' A' ' 38' ' ' LEU . 1.2 pp -128.48 168.09 16.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 17.6 p -79.86 160.18 26.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.148 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -50.24 -44.75 53.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -61.51 -48.23 82.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -52.86 -44.85 67.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.867 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.705 ' CE1' HG21 ' A' ' 135' ' ' VAL . 36.4 t80 -51.42 -59.95 3.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' HIS . . . . . 0.434 ' C ' ' O ' ' A' ' 130' ' ' PHE . 16.7 m-70 -35.48 -61.21 0.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 59.0 p -66.79 -26.49 66.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.18 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.916 ' O ' HG23 ' A' ' 135' ' ' VAL . . . -59.84 128.84 38.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.072 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -56.01 102.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.916 HG23 ' O ' ' A' ' 133' ' ' ALA . 2.4 t -132.24 150.02 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.18 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 137' ' ' THR . 35.3 t -64.38 138.44 58.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.647 HG22 ' HE2' ' A' ' 141' ' ' LYS . 73.6 m -36.33 -66.1 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.143 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.437 ' HA ' ' CE ' ' A' ' 141' ' ' LYS . . . -39.78 -64.0 0.53 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.082 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' MET . . . . . 0.551 ' HB2' HG12 ' A' ' 135' ' ' VAL . 36.7 mmm -46.12 -48.23 17.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 140' ' ' LYS . . . . . 0.423 ' HG2' ' HB ' ' A' ' 135' ' ' VAL . 7.4 mtpp -58.65 -33.54 70.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.647 ' HE2' HG22 ' A' ' 137' ' ' THR . 46.8 mtmt -70.28 -36.57 74.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.849 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.611 HG13 HG13 ' A' ' 104' ' ' VAL . 49.7 t -59.04 -28.26 38.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.16 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -67.56 -67.87 0.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -49.14 -30.73 7.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.455 HG11 HG21 ' A' ' 104' ' ' VAL . 33.1 t -72.25 -29.29 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -82.67 -37.48 24.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.957 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.902 -179.967 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.74 0.225 . . . . 0.0 112.285 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 16' ' ' PRO . 62.3 mtm-85 -37.54 -61.23 0.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -87.37 100.29 12.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.853 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -139.47 113.47 8.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.964 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.416 ' C ' ' HB2' ' A' ' 58' ' ' TRP . 15.8 m -115.95 140.53 49.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.691 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.9 m -150.42 149.41 30.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -115.99 114.14 24.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.408 HG23 HG11 ' A' ' 142' ' ' VAL . 9.2 t -108.65 147.94 31.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.544 ' HB2' HD11 ' A' ' 69' ' ' LEU . 49.9 t -129.42 158.32 39.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 89.0 t -111.96 122.31 66.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.422 HD13 HD11 ' A' ' 80' ' ' LEU . 36.0 tp -103.85 120.5 41.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.973 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.463 ' HB3' ' HB2' ' A' ' 108' ' ' ALA . 18.6 tt0 -122.23 145.24 48.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.538 ' NE2' ' CE3' ' A' ' 124' ' ' TRP . 9.1 pt20 -139.37 153.46 70.88 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.623 0.725 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 132.19 22.84 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.694 2.263 . . . . 0.0 112.365 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -125.89 159.23 20.3 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.452 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.94 -29.1 7.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.832 0.348 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.669 HD23 ' N ' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -88.65 -32.75 17.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.949 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 166.33 -66.25 0.2 Allowed Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.463 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -163.52 155.64 17.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.744 0.307 . . . . 0.0 111.106 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -146.32 143.58 29.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.9 pt -106.01 172.82 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.204 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.2 tp -105.74 141.01 37.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.452 HD22 HD21 ' A' ' 125' ' ' LEU . 10.2 tp -138.92 121.6 16.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.859 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.525 HG12 ' HB2' ' A' ' 122' ' ' ALA . 21.7 m -113.18 130.05 67.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -105.55 142.09 35.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 56.5 mtm180 . . . . . 0 C--N 1.33 -0.267 0 CA-C-O 121.628 0.727 . . . . 0.0 110.855 -179.915 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.611 ' CD1' ' HB1' ' A' ' 134' ' ' ALA . 1.7 mm? . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.807 0.337 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.539 ' O ' HG13 ' A' ' 135' ' ' VAL . 91.6 m95 -93.17 127.16 38.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -154.5 162.74 41.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.686 ' CZ ' ' CE1' ' A' ' 130' ' ' PHE . 22.7 m-85 -67.51 148.33 98.65 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.718 0.771 . . . . 0.0 110.877 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 143.8 52.09 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.691 2.26 . . . . 0.0 112.316 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 56.0 p -146.53 167.05 24.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.85 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.0 m -129.87 169.9 20.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.131 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.8 t -59.46 150.59 26.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.416 ' HB2' ' C ' ' A' ' 20' ' ' SER . 79.7 t90 -62.36 154.3 28.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -138.54 132.54 16.51 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.693 0.759 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -29.65 23.52 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.642 2.228 . . . . 0.0 112.393 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 t -93.31 128.83 39.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -49.78 -36.92 27.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.829 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 64' ' ' LEU . 31.3 tp60 -72.84 -67.58 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 63' ' ' GLN . 8.7 mp -34.38 -42.99 0.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.3 -58.07 9.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.962 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 56.6 mtp180 -62.31 -37.7 86.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -57.76 -59.13 5.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.34 -33.67 76.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.544 HD11 ' HB2' ' A' ' 24' ' ' CYS . 48.3 tp -54.33 -52.38 61.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.582 HD22 ' HB3' ' A' ' 80' ' ' LEU . 69.5 mt -64.4 -53.78 43.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 70' ' ' LEU . 13.7 mm-40 -35.29 -55.22 0.64 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -57.34 -50.77 71.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.7 mt -49.64 -50.04 44.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -52.4 -40.54 62.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -52.07 -32.66 35.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.487 ' CD2' HG11 ' A' ' 39' ' ' VAL . 82.8 m95 -86.04 -70.32 0.61 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.988 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.517 ' HB1' HG21 ' A' ' 115' ' ' VAL . . . -79.11 -71.19 0.45 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 149.91 -100.07 0.2 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.513 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.523 ' O ' HD22 ' A' ' 80' ' ' LEU . 53.8 Cg_endo -69.86 113.38 3.37 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.661 2.24 . . . . 0.0 112.373 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.582 ' HB3' HD22 ' A' ' 70' ' ' LEU . 4.3 mm? -125.15 136.85 28.71 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.629 0.728 . . . . 0.0 110.91 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.526 ' HG2' HD21 ' A' ' 107' ' ' LEU . 54.1 Cg_endo -69.73 -168.6 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.667 2.245 . . . . 0.0 112.32 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -131.41 -67.05 0.71 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 72.1 p -55.63 -40.7 72.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -43.75 -43.99 6.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.888 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.471 HD11 ' HB3' ' A' ' 105' ' ' TYR . 47.1 tp -53.8 130.82 38.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 58.0 mtt180 -149.38 127.28 11.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 -68.65 122.37 18.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.823 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 20.0 mt -125.96 91.17 3.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 71.67 -170.11 49.27 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.521 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -148.95 171.07 16.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.935 0.398 . . . . 0.0 110.837 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 43.3 t -142.27 107.23 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.146 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.593 HG22 HG23 ' A' ' 101' ' ' THR . 55.0 t -116.09 107.21 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.545 ' ND1' ' CE1' ' A' ' 95' ' ' PHE . 53.5 t-80 -101.71 146.6 27.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 31.4 m -111.43 115.73 29.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.128 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.545 ' CE1' ' ND1' ' A' ' 93' ' ' HIS . 29.1 m-85 -102.84 174.5 5.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.542 ' O ' ' N ' ' A' ' 98' ' ' ILE . 2.5 m -46.9 124.36 6.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.582 ' O ' ' CG ' ' A' ' 97' ' ' HIS . 2.9 p-80 35.24 29.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.542 ' N ' ' O ' ' A' ' 96' ' ' SER . 61.4 mt -146.61 151.12 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.103 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.1 ttpt -135.15 123.07 22.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -107.85 150.47 26.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.854 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.593 HG23 HG22 ' A' ' 92' ' ' VAL . 92.4 m -134.19 106.01 6.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -105.0 142.11 35.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 43.6 mm-40 -105.51 114.58 28.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.744 HG22 HG13 ' A' ' 142' ' ' VAL . 61.9 t -70.06 123.08 23.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.088 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.471 ' HB3' HD11 ' A' ' 85' ' ' LEU . 50.3 m-85 -130.97 133.98 46.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.965 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -103.19 149.89 17.6 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.462 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.703 HD13 ' N ' ' A' ' 108' ' ' ALA . 0.4 OUTLIER -167.33 123.85 1.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.887 0.375 . . . . 0.0 110.95 -179.889 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.703 ' N ' HD13 ' A' ' 107' ' ' LEU . . . -150.22 161.57 42.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.089 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 65.9 mt -105.98 102.09 11.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.908 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.147 0 CA-C-O 120.829 0.262 . . . . 0.0 112.329 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.517 HG21 ' HB1' ' A' ' 77' ' ' ALA . 5.1 p -112.04 -37.0 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.156 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.453 ' C ' ' O ' ' A' ' 115' ' ' VAL . 7.7 p 34.01 38.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.122 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.405 ' N ' ' O ' ' A' ' 115' ' ' VAL . 24.4 m -154.64 121.77 5.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.403 ' O ' HG13 ' A' ' 118' ' ' VAL . 9.4 p -163.82 130.24 2.32 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.578 0.704 . . . . 0.0 111.123 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 168.43 21.54 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.634 2.223 . . . . 0.0 112.37 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -0.73 7.29 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.66 2.24 . . . . 0.0 112.343 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -100.63 4.36 56.49 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.493 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.525 ' HB2' HG12 ' A' ' 39' ' ' VAL . . . -135.68 169.11 18.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.761 0.315 . . . . 0.0 111.094 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.48 ' CZ ' ' HB2' ' A' ' 123' ' ' ARG . 2.9 ptm85 -153.06 146.23 24.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' TRP . . . . . 0.538 ' CE3' ' NE2' ' A' ' 28' ' ' GLN . 29.2 m95 -105.95 106.47 17.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.452 HD21 HD22 ' A' ' 38' ' ' LEU . 1.3 pp -120.81 169.17 10.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.928 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 10.2 p -81.8 171.03 15.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.163 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -60.23 -47.54 85.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -64.63 -40.53 95.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -59.77 -33.75 72.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.96 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.686 ' CE1' ' CZ ' ' A' ' 53' ' ' PHE . 4.8 t80 -61.92 -60.79 3.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' HIS . . . . . 0.441 ' C ' ' O ' ' A' ' 130' ' ' PHE . 19.1 m-70 -34.45 -58.07 0.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.825 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 82.2 p -62.79 -43.04 99.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.131 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.479 ' O ' HG23 ' A' ' 135' ' ' VAL . . . -40.56 148.95 0.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.611 ' HB1' ' CD1' ' A' ' 50' ' ' LEU . . . -70.05 95.28 0.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.169 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.544 HG12 ' HB2' ' A' ' 139' ' ' MET . 2.0 t -128.77 143.64 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 13.9 m -72.7 152.96 41.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.862 HG22 ' HD2' ' A' ' 141' ' ' LYS . 31.8 m -43.53 -65.72 0.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.149 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 137' ' ' THR . . . -34.56 -69.93 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.15 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 139' ' ' MET . . . . . 0.544 ' HB2' HG12 ' A' ' 135' ' ' VAL . 40.2 mmm -51.24 -44.52 61.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 140' ' ' LYS . . . . . 0.43 ' CG ' ' HB ' ' A' ' 135' ' ' VAL . 53.6 mttt -59.73 -23.97 63.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.862 ' HD2' HG22 ' A' ' 137' ' ' THR . 36.2 mtpt -82.42 -31.62 29.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.744 HG13 HG22 ' A' ' 104' ' ' VAL . 91.2 t -68.15 -11.25 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.083 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -86.0 -63.07 1.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -49.12 -25.26 2.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 141' ' ' LYS . 97.0 t -80.18 -43.65 22.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -61.69 -41.08 97.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.961 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.908 -179.992 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.138 0 CA-C-O 120.746 0.228 . . . . 0.0 112.315 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 16' ' ' PRO . 43.8 mtt180 -37.63 -56.34 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.866 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -91.17 100.13 13.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -140.25 113.35 8.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.8 p -118.48 142.45 47.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.834 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.3 m -157.33 156.69 32.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.94 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -124.65 117.95 25.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.559 ' CG2' HG11 ' A' ' 142' ' ' VAL . 14.8 t -111.17 151.03 28.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.508 ' HB2' HD11 ' A' ' 69' ' ' LEU . 8.2 t -126.42 159.3 33.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.856 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 77.7 t -113.6 91.15 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 31.8 tp -78.54 117.69 19.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.492 ' HB2' HG22 ' A' ' 36' ' ' ILE . 9.9 tt0 -131.97 145.84 51.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.477 ' N ' ' HG2' ' A' ' 27' ' ' GLU . 3.7 pt20 -135.6 149.41 69.14 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.577 0.703 . . . . 0.0 110.99 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 121.68 8.38 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.726 2.284 . . . . 0.0 112.393 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -119.14 166.87 13.14 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.486 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.54 -55.85 8.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.845 0.355 . . . . 0.0 111.102 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 74.7 mt -60.52 -43.16 97.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.73 -69.08 0.1 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.51 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -164.72 157.23 16.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.71 0.29 . . . . 0.0 111.121 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.456 ' HG3' HG22 ' A' ' 126' ' ' THR . 0.9 OUTLIER -144.78 145.68 31.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.88 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.492 HG22 ' HB2' ' A' ' 27' ' ' GLU . 6.0 pt -111.03 176.53 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.568 HD11 ' HB1' ' A' ' 122' ' ' ALA . 36.2 tp -110.98 142.39 43.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.48 ' CD2' ' HB3' ' A' ' 51' ' ' TRP . 11.2 tp -140.25 121.12 14.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 28.3 m -111.43 141.67 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -93.3 163.21 13.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.983 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 121.559 0.695 . . . . 0.0 110.91 -179.932 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.772 0.32 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.48 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 97.2 m95 -80.79 132.42 35.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -161.92 152.36 17.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.617 ' CZ ' ' CE1' ' A' ' 130' ' ' PHE . 9.1 m-85 -57.1 148.25 52.02 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.639 0.733 . . . . 0.0 110.87 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.73 140.9 43.91 Favored 'Trans proline' 0 N--CA 1.465 -0.2 0 C-N-CA 122.733 2.289 . . . . 0.0 112.381 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.0 p -139.18 163.84 31.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.832 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.484 HG11 ' HA ' ' A' ' 69' ' ' LEU . 17.7 m -127.01 179.61 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 19.0 p -67.41 139.98 57.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.501 ' CH2' ' HA ' ' A' ' 60' ' ' PRO . 83.9 t90 -51.45 162.05 0.4 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.407 ' HB2' ' CD ' ' A' ' 65' ' ' GLN . 5.4 mm-40 -151.95 129.05 5.56 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.607 0.718 . . . . 0.0 110.945 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.501 ' HA ' ' CH2' ' A' ' 58' ' ' TRP . 53.5 Cg_endo -69.76 -29.07 24.45 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.708 2.272 . . . . 0.0 112.325 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.1 t -93.56 132.65 37.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.829 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.422 ' HG2' ' N ' ' A' ' 63' ' ' GLN . 0.6 OUTLIER -53.06 -37.21 61.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.422 ' N ' ' HG2' ' A' ' 62' ' ' GLU . 44.2 tt0 -72.48 -66.49 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 63' ' ' GLN . 9.3 mp -36.67 -41.75 0.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.407 ' CD ' ' HB2' ' A' ' 59' ' ' GLU . 8.2 tp60 -57.51 -48.41 79.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.423 ' HG2' ' CD2' ' A' ' 85' ' ' LEU . 16.6 mtp180 -72.23 -32.13 66.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -58.23 -59.66 4.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.86 -38.9 73.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.508 HD11 ' HB2' ' A' ' 24' ' ' CYS . 53.2 tp -51.41 -53.86 32.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.579 HD22 ' HB3' ' A' ' 80' ' ' LEU . 83.0 mt -64.27 -50.12 69.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 70' ' ' LEU . 14.4 mm-40 -35.94 -48.37 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.1 tp10 -65.61 -58.02 6.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.94 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.2 mt -40.23 -54.87 2.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -48.24 -38.06 17.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -55.13 -31.36 61.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 60.5 m95 -88.62 -71.88 0.57 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.454 ' HA ' HG21 ' A' ' 115' ' ' VAL . . . -74.8 -72.92 0.26 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.11 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 150.8 -97.63 0.18 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.506 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 108.2 2.03 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.752 2.302 . . . . 0.0 112.29 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.579 ' HB3' HD22 ' A' ' 70' ' ' LEU . 4.3 mm? -119.43 126.84 26.77 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.675 0.75 . . . . 0.0 110.857 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.741 ' HG2' HD21 ' A' ' 107' ' ' LEU . 53.7 Cg_endo -69.79 -179.44 2.93 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.675 2.25 . . . . 0.0 112.368 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -120.55 -72.51 0.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.104 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 47.8 m -49.64 -49.89 45.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.191 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 -39.01 -36.23 0.27 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.423 ' CD2' ' HG2' ' A' ' 66' ' ' ARG . 25.0 tp -64.33 128.25 34.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 28.8 mtt85 -145.19 105.28 4.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.44 ' NE2' ' O ' ' A' ' 89' ' ' GLY . 13.2 t-80 -42.2 129.09 3.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 25.6 mt -123.94 90.03 3.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.44 ' O ' ' NE2' ' A' ' 87' ' ' HIS . . . 60.84 -170.3 8.12 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.495 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -146.44 171.02 15.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.921 0.391 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.452 HG21 ' HA ' ' A' ' 142' ' ' VAL . 77.3 t -140.58 117.03 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.199 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.587 HG22 ' HA ' ' A' ' 101' ' ' THR . 54.6 t -129.91 106.4 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.077 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 37.7 t60 -98.68 107.0 19.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.848 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.7 p -79.7 101.68 8.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.135 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.423 ' N ' ' O ' ' A' ' 98' ' ' ILE . 64.8 m-85 -70.93 -179.88 2.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.9 t -47.77 -68.06 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.923 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.407 ' C ' HG13 ' A' ' 98' ' ' ILE . 0.7 OUTLIER -120.27 28.04 8.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 95' ' ' PHE . 60.8 mt -144.55 146.76 19.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 28.1 tttm -126.77 118.06 23.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.488 ' O ' HG13 ' A' ' 92' ' ' VAL . 4.1 mm? -105.5 140.72 38.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.994 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.587 ' HA ' HG22 ' A' ' 92' ' ' VAL . 90.9 m -123.63 109.33 13.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.109 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -109.09 139.58 43.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.94 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -103.48 110.09 21.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.836 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.597 HG22 HG13 ' A' ' 142' ' ' VAL . 65.7 t -69.94 123.97 24.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.148 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -134.04 127.17 31.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -109.29 119.49 5.53 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.514 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.741 HD21 ' HG2' ' A' ' 81' ' ' PRO . 1.7 tm? -135.31 109.58 8.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.867 0.365 . . . . 0.0 110.913 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.429 ' N ' HD13 ' A' ' 107' ' ' LEU . . . -124.22 140.37 53.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.078 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 87.6 mt -78.2 101.45 7.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 179.943 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.23 0.111 0 CA-C-O 120.844 0.269 . . . . 0.0 112.318 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' ' 117' ' ' THR . 10.3 p -94.56 -45.69 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.118 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.514 ' N ' HG13 ' A' ' 115' ' ' VAL . 43.7 p 45.86 30.4 0.86 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.521 ' O ' HG22 ' A' ' 115' ' ' VAL . 5.8 t -170.0 151.25 3.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.606 ' CG2' ' HB3' ' A' ' 122' ' ' ALA . 11.0 p -154.9 137.18 9.89 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.621 0.724 . . . . 0.0 111.145 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.557 ' HD2' HG23 ' A' ' 118' ' ' VAL . 54.0 Cg_endo -69.8 169.97 17.71 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.698 2.265 . . . . 0.0 112.306 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 116.73 4.7 Favored 'Trans proline' 0 N--CA 1.464 -0.225 0 C-N-CA 122.738 2.292 . . . . 0.0 112.359 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 127.83 -26.43 4.81 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.406 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.606 ' HB3' ' CG2' ' A' ' 118' ' ' VAL . . . -98.44 148.11 24.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.824 0.345 . . . . 0.0 111.105 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.464 ' HB3' ' CZ3' ' A' ' 51' ' ' TRP . 7.1 ttt180 -122.1 141.7 51.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 28.2 m95 -117.4 103.59 10.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.448 HD23 ' NE ' ' A' ' 123' ' ' ARG . 1.7 pp -125.67 169.96 12.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' THR . . . . . 0.456 HG22 ' HG3' ' A' ' 35' ' ' GLN . 22.7 p -78.27 161.97 26.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -51.45 -43.78 62.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -65.99 -46.8 76.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -50.58 -45.61 57.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.617 ' CE1' ' CZ ' ' A' ' 53' ' ' PHE . 25.1 t80 -50.76 -53.89 28.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.877 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -42.5 -53.4 4.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.855 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 51.9 p -70.86 -33.78 70.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.179 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.879 ' O ' HG23 ' A' ' 135' ' ' VAL . . . -52.39 139.55 24.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.033 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -54.77 96.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.879 HG23 ' O ' ' A' ' 133' ' ' ALA . 3.1 t -132.76 137.85 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 7.9 p -64.94 157.2 28.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.821 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.733 HG22 ' HD2' ' A' ' 141' ' ' LYS . 47.7 m -49.55 -57.76 6.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -45.58 -70.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.033 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' MET . . . . . 0.563 ' HB2' HG12 ' A' ' 135' ' ' VAL . 39.0 mmm -46.02 -46.33 16.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 140' ' ' LYS . . . . . 0.467 ' CG ' ' HB ' ' A' ' 135' ' ' VAL . 73.6 mttt -57.06 -31.43 65.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.733 ' HD2' HG22 ' A' ' 137' ' ' THR . 15.7 mtpp -73.59 -41.28 63.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.597 HG13 HG22 ' A' ' 104' ' ' VAL . 69.2 t -53.89 -15.4 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.138 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.446 ' O ' ' N ' ' A' ' 146' ' ' TYR . 87.5 t80 -82.38 -70.2 0.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.912 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -39.71 -29.99 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.4 ' N ' ' O ' ' A' ' 143' ' ' PHE . 86.7 t -69.62 -43.21 80.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 146' ' ' TYR . . . . . 0.446 ' N ' ' O ' ' A' ' 143' ' ' PHE . 2.4 t80 -66.11 -46.32 78.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.947 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.5 Cg_endo . . . . . 0 C--O 1.232 0.208 0 CA-C-O 120.729 0.221 . . . . 0.0 112.288 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 16' ' ' PRO . 37.9 mtp180 -35.82 -71.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.938 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -85.3 117.84 24.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -149.92 112.65 4.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.409 ' C ' ' HB2' ' A' ' 58' ' ' TRP . 14.6 m -116.32 140.34 49.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.6 m -154.43 157.35 38.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.887 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -121.18 105.03 10.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.127 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.8 t -99.0 140.4 33.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.174 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 46.4 t -113.44 162.91 15.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 74.0 t -117.72 88.82 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.541 HD23 HD22 ' A' ' 37' ' ' LEU . 28.4 tp -74.31 123.63 24.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.983 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -136.17 145.02 45.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.512 ' HG3' HD12 ' A' ' 109' ' ' LEU . 29.2 tt0 -140.2 140.87 24.56 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.609 0.719 . . . . 0.0 110.888 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.464 ' HD2' ' CG ' ' A' ' 28' ' ' GLN . 54.7 Cg_endo -69.71 133.28 25.27 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.673 2.249 . . . . 0.0 112.408 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -126.23 -144.92 6.24 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.48 -65.01 1.04 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.759 0.314 . . . . 0.0 111.047 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.1 mt -57.98 -42.26 84.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.854 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.52 -78.74 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.474 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.45 146.71 13.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.679 0.276 . . . . 0.0 111.118 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -131.31 158.86 39.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.7 pt -109.93 176.52 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.134 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.541 HD22 HD23 ' A' ' 26' ' ' LEU . 6.3 tp -111.65 140.97 45.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.485 ' CD2' ' HB3' ' A' ' 51' ' ' TRP . 9.4 tp -132.88 144.29 50.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.94 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.453 HG11 ' CE2' ' A' ' 76' ' ' TRP . 4.5 m -119.24 159.39 20.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -106.79 130.37 54.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.4 mmp_? . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 121.596 0.713 . . . . 0.0 110.832 -179.895 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.479 HD22 ' N ' ' A' ' 50' ' ' LEU . 2.9 mm? . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.848 0.356 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.485 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 61.2 m95 -76.84 133.5 39.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.405 ' O ' HG22 ' A' ' 39' ' ' VAL . 5.1 mt-10 -153.02 170.06 21.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.57 ' CZ ' ' CE2' ' A' ' 130' ' ' PHE . 22.7 m-85 -76.6 143.91 72.72 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.639 0.733 . . . . 0.0 110.862 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 139.27 39.82 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.675 2.25 . . . . 0.0 112.359 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 77.3 p -146.71 167.87 22.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.4 m -126.62 177.76 5.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.181 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 29.4 p -66.49 128.41 36.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.114 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.409 ' HB2' ' C ' ' A' ' 20' ' ' SER . 80.0 t90 -44.27 150.8 0.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.431 ' HG3' ' C ' ' A' ' 64' ' ' LEU . 26.6 mm-40 -130.06 136.22 28.7 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.611 0.72 . . . . 0.0 110.897 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -21.77 33.24 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.749 2.3 . . . . 0.0 112.303 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 t -107.14 143.59 35.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.888 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -63.77 -20.78 66.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.852 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.3 tp60 -87.14 -54.41 4.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.431 ' C ' ' HG3' ' A' ' 59' ' ' GLU . 1.9 mp -50.58 -32.19 17.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -64.04 -66.71 0.51 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.962 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.613 ' HB3' HD23 ' A' ' 85' ' ' LEU . 34.0 mtm180 -59.53 -29.25 67.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.819 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.4 mtmt -62.14 -60.24 3.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.15 -31.11 68.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.586 HD23 HD21 ' A' ' 85' ' ' LEU . 15.2 tp -53.76 -57.78 9.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.916 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.43 HD22 ' HB3' ' A' ' 80' ' ' LEU . 91.5 mt -58.94 -50.02 75.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -40.89 -34.34 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -79.98 -56.72 4.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 30.7 mt -41.38 -47.16 3.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.954 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -53.6 -37.73 63.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -54.43 -30.32 52.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.453 ' CE2' HG11 ' A' ' 39' ' ' VAL . 61.7 m95 -93.68 -71.6 0.65 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.94 -71.7 0.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.106 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 145.31 -98.62 0.2 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.508 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.431 ' C ' HD22 ' A' ' 80' ' ' LEU . 53.6 Cg_endo -69.84 106.34 1.66 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.671 2.247 . . . . 0.0 112.353 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.431 HD22 ' C ' ' A' ' 79' ' ' PRO . 4.5 mm? -121.37 127.24 26.21 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.61 0.719 . . . . 0.0 110.935 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.646 ' HG2' HD21 ' A' ' 107' ' ' LEU . 53.7 Cg_endo -69.64 -177.62 1.92 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.675 2.25 . . . . 0.0 112.359 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -124.7 -57.75 1.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.032 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 27.7 m -55.6 -44.66 77.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -54.67 -35.11 63.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.613 HD23 ' HB3' ' A' ' 66' ' ' ARG . 37.5 tp -63.92 130.15 42.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 -151.79 164.08 37.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.658 ' C ' HD23 ' A' ' 88' ' ' LEU . 7.7 t-80 -99.69 124.74 45.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.832 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.658 HD23 ' C ' ' A' ' 87' ' ' HIS . 1.9 mt -126.51 95.36 4.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 68.75 177.07 13.22 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.469 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -134.57 165.09 26.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.844 0.354 . . . . 0.0 110.907 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.761 HG21 ' HA ' ' A' ' 142' ' ' VAL . 58.5 t -137.91 112.05 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.084 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.434 HG13 ' O ' ' A' ' 100' ' ' LEU . 55.5 t -125.73 106.84 16.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.126 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.713 ' CE1' ' CE1' ' A' ' 95' ' ' PHE . 30.7 t-80 -100.94 135.4 42.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.77 119.12 37.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.207 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.713 ' CE1' ' CE1' ' A' ' 93' ' ' HIS . 70.4 m-85 -104.28 178.96 4.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.402 ' O ' ' CG ' ' A' ' 97' ' ' HIS . 22.9 t -52.86 116.34 2.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.797 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.402 ' CG ' ' O ' ' A' ' 96' ' ' SER . 25.5 p-80 42.22 28.83 0.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.519 HG22 ' N ' ' A' ' 99' ' ' LYS . 73.0 mt -138.77 159.72 30.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.519 ' N ' HG22 ' A' ' 98' ' ' ILE . 5.0 ttpt -139.03 127.19 22.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.929 179.786 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.434 ' O ' HG13 ' A' ' 92' ' ' VAL . 3.6 mm? -118.05 143.12 46.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.931 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 92.8 m -129.76 111.15 12.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.104 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -112.1 132.38 54.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.956 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -98.04 115.2 27.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.836 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.653 ' CG2' HG23 ' A' ' 91' ' ' VAL . 67.4 t -71.17 123.93 26.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.065 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -134.99 103.92 5.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -84.67 134.66 12.85 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.646 HD21 ' HG2' ' A' ' 81' ' ' PRO . 3.3 tm? -151.69 115.38 4.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 110.925 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -131.78 157.18 44.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.512 HD12 ' HG3' ' A' ' 28' ' ' GLN . 67.4 mt -88.89 106.59 18.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.974 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.974 179.922 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.196 0 CA-C-O 120.826 0.261 . . . . 0.0 112.37 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.431 ' O ' ' C ' ' A' ' 116' ' ' THR . 7.5 p -120.72 -39.48 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 115' ' ' VAL . 5.8 p 34.6 45.02 0.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 80.1 m -165.89 120.94 1.23 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.149 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.667 ' CG2' ' HB3' ' A' ' 122' ' ' ALA . 13.5 p -144.88 136.08 12.52 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.577 0.703 . . . . 0.0 111.205 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.505 ' HD2' HG23 ' A' ' 118' ' ' VAL . 53.6 Cg_endo -69.72 165.56 30.51 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.744 2.296 . . . . 0.0 112.288 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 97.23 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.724 2.283 . . . . 0.0 112.33 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 146.04 -10.26 1.58 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.486 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.667 ' HB3' ' CG2' ' A' ' 118' ' ' VAL . . . -114.16 153.96 28.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.341 . . . . 0.0 111.09 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.419 ' HB3' ' CZ3' ' A' ' 51' ' ' TRP . 11.8 ttm-85 -132.63 148.67 52.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 37.1 m95 -112.38 101.47 9.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.957 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.447 ' HB2' ' CB ' ' A' ' 129' ' ' GLU . 1.5 pp -120.96 169.54 10.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.945 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 5.3 p -91.07 164.47 13.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.421 ' H ' ' CD ' ' A' ' 127' ' ' GLN . 2.0 mp0 -48.78 -47.11 42.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -61.83 -38.85 89.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.447 ' CB ' ' HB2' ' A' ' 125' ' ' LEU . 36.5 mm-40 -63.93 -47.25 81.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.67 ' O ' ' HB3' ' A' ' 133' ' ' ALA . 9.7 t80 -49.78 -55.32 14.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.823 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 130' ' ' PHE . 3.2 m-70 -38.21 -63.19 0.51 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 64.0 p -57.9 -27.45 63.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.187 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.67 ' HB3' ' O ' ' A' ' 130' ' ' PHE . . . -57.07 153.59 11.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.075 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.411 ' HB1' HD12 ' A' ' 50' ' ' LEU . . . -80.24 99.64 7.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.143 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.775 HG12 ' HB2' ' A' ' 139' ' ' MET . 0.5 OUTLIER -130.91 158.49 43.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 136' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 137' ' ' THR . 3.6 p -85.46 149.27 25.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.811 HG22 ' HE2' ' A' ' 141' ' ' LYS . 55.5 m -34.42 -68.6 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.185 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.47 ' O ' HG23 ' A' ' 142' ' ' VAL . . . -38.61 -59.42 0.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 139' ' ' MET . . . . . 0.775 ' HB2' HG12 ' A' ' 135' ' ' VAL . 44.5 mmm -58.96 -29.23 67.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.927 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 140' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 137' ' ' THR . 14.0 mtpt -76.74 -31.63 57.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.879 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.811 ' HE2' HG22 ' A' ' 137' ' ' THR . 0.1 OUTLIER -89.76 -11.66 41.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.761 ' HA ' HG21 ' A' ' 91' ' ' VAL . 3.7 t -74.61 -18.8 16.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.487 ' CZ ' ' CD ' ' A' ' 147' ' ' GLN . 38.7 t80 -91.23 -47.52 7.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.5 -19.26 14.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.857 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.524 HG11 HG21 ' A' ' 104' ' ' VAL . 30.3 t -82.75 -19.28 10.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.094 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 146' ' ' TYR . . . . . 0.484 ' HD1' HD12 ' A' ' 88' ' ' LEU . 1.5 t80 -94.29 -31.08 14.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.941 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 147' ' ' GLN . . . . . 0.487 ' CD ' ' CZ ' ' A' ' 143' ' ' PHE . 19.3 mt-30 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.1 Cg_endo . . . . . 0 N--CA 1.466 -0.146 0 CA-C-O 120.822 0.259 . . . . 0.0 112.348 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 16' ' ' PRO . 19.1 mtp180 -33.32 -74.07 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 3.5 tp10 -85.56 119.03 25.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -149.56 112.48 4.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.92 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.2 m -115.77 137.32 52.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.806 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.7 m -154.38 155.47 35.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.865 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -117.94 112.31 20.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.065 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.8 t -103.8 141.78 35.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.787 ' HB3' HD11 ' A' ' 69' ' ' LEU . 16.1 t -125.59 158.68 34.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.411 ' N ' ' SG ' ' A' ' 24' ' ' CYS . 84.6 t -113.35 124.62 70.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.173 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.423 HD23 HD22 ' A' ' 37' ' ' LEU . 12.9 tp -109.51 118.9 37.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -126.62 147.48 49.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.83 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.454 ' HG2' ' CZ3' ' A' ' 124' ' ' TRP . 4.2 pt20 -138.79 149.37 61.79 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.671 0.748 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 117.08 4.87 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.66 2.24 . . . . 0.0 112.333 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -106.75 -160.39 21.91 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.473 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.77 -62.24 1.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.802 0.334 . . . . 0.0 111.07 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 34.3 mt -61.46 -45.85 92.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -168.67 -85.42 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.511 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -156.8 156.19 32.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.723 0.296 . . . . 0.0 111.119 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.491 ' CG ' HG22 ' A' ' 126' ' ' THR . 13.4 mt-30 -139.08 153.44 48.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.6 pt -112.27 173.03 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.121 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.423 HD22 HD23 ' A' ' 26' ' ' LEU . 10.2 tp -103.92 134.3 47.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.458 ' CD2' HD21 ' A' ' 125' ' ' LEU . 10.0 tp -134.86 123.9 24.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.971 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 23.6 m -106.58 157.8 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.214 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -105.14 147.14 28.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 42.8 mtp180 . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 121.619 0.723 . . . . 0.0 110.855 -179.909 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.479 HD12 ' HB1' ' A' ' 134' ' ' ALA . 4.5 mm? . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.752 0.31 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.537 ' O ' HG13 ' A' ' 135' ' ' VAL . 79.6 m95 -114.96 124.87 52.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.933 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.406 ' HA ' HG13 ' A' ' 135' ' ' VAL . 1.3 pm0 -153.84 156.11 37.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.685 ' CZ ' ' CE1' ' A' ' 130' ' ' PHE . 24.3 m-85 -58.42 146.82 70.83 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.62 0.724 . . . . 0.0 110.923 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 139.8 41.28 Favored 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.721 2.281 . . . . 0.0 112.368 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 85.4 p -146.08 165.06 30.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.1 m -126.22 171.41 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.7 t -56.32 153.82 9.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 85.2 t90 -68.11 142.45 55.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -125.59 130.35 24.11 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.692 0.758 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -22.96 31.38 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.683 2.256 . . . . 0.0 112.321 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.3 t -95.28 137.09 34.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -59.01 -24.28 62.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -86.2 -62.37 1.53 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.5 mp -39.49 -38.72 0.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -57.65 -54.67 44.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.406 ' NH2' ' O ' ' A' ' 82' ' ' ALA . 65.5 mtp180 -65.43 -52.21 54.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -44.7 -68.09 0.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.939 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.56 -46.85 83.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.069 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.787 HD11 ' HB3' ' A' ' 24' ' ' CYS . 2.3 tp -43.2 -43.53 4.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.511 HD22 ' HB3' ' A' ' 80' ' ' LEU . 53.2 mt -76.11 -48.6 20.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.956 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 70' ' ' LEU . 82.8 mt-30 -35.29 -48.46 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.3 tp10 -66.97 -55.06 16.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.5 mt -41.94 -46.97 4.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -56.2 -43.4 78.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.941 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 47.8 mtp180 -49.47 -32.73 12.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 71.9 m95 -87.11 -69.38 0.69 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.707 ' HB1' HG21 ' A' ' 115' ' ' VAL . . . -76.49 -70.41 0.45 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.081 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 147.76 -102.3 0.24 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.456 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 108.22 2.04 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.636 2.224 . . . . 0.0 112.305 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.511 ' HB3' HD22 ' A' ' 70' ' ' LEU . 4.4 mm? -119.87 132.97 23.87 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.548 0.689 . . . . 0.0 110.914 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.543 ' CG ' HD11 ' A' ' 107' ' ' LEU . 53.8 Cg_endo -69.74 -168.49 0.28 Allowed 'Trans proline' 0 C--N 1.34 0.111 0 C-N-CA 122.68 2.253 . . . . 0.0 112.354 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.406 ' O ' ' NH2' ' A' ' 66' ' ' ARG . . . -132.25 -59.11 0.93 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.136 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 88.0 m -57.77 -42.87 84.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -51.77 -24.92 6.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.822 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.508 ' HB2' HD23 ' A' ' 107' ' ' LEU . 26.7 tp -75.76 129.29 36.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -149.78 149.43 30.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.687 ' O ' HD23 ' A' ' 88' ' ' LEU . 11.2 t-80 -87.14 126.19 34.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.687 HD23 ' O ' ' A' ' 87' ' ' HIS . 7.6 mt -127.66 92.8 3.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 69.07 -170.35 41.3 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.46 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -143.33 170.53 15.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.807 0.337 . . . . 0.0 110.93 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.623 HG21 ' HA ' ' A' ' 142' ' ' VAL . 40.4 t -143.23 105.09 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.627 HG22 HG23 ' A' ' 101' ' ' THR . 90.5 t -118.83 111.86 35.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.092 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.483 ' CE1' ' CE1' ' A' ' 95' ' ' PHE . 63.0 t-80 -105.04 147.82 27.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 45.1 m -118.93 114.89 23.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.181 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.483 ' CE1' ' CE1' ' A' ' 93' ' ' HIS . 85.9 m-85 -99.61 -176.49 3.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.49 ' O ' ' CG ' ' A' ' 97' ' ' HIS . 10.9 m -51.42 114.37 1.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.49 ' CG ' ' O ' ' A' ' 96' ' ' SER . 28.1 p80 43.96 28.26 0.24 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.813 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.463 ' CG2' ' N ' ' A' ' 99' ' ' LYS . 26.8 mt -137.48 156.24 32.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.184 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.463 ' N ' ' CG2' ' A' ' 98' ' ' ILE . 0.0 OUTLIER -137.9 127.03 24.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.835 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.43 ' O ' HG13 ' A' ' 92' ' ' VAL . 1.3 mm? -117.5 142.9 46.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.972 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.627 HG23 HG22 ' A' ' 92' ' ' VAL . 35.0 m -127.76 111.27 13.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.158 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.411 ' CE1' HD12 ' A' ' 100' ' ' LEU . 68.2 m-85 -112.15 137.05 50.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -100.31 120.28 39.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.698 HG21 HG11 ' A' ' 145' ' ' VAL . 59.1 t -73.81 127.41 35.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.134 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -136.88 137.6 39.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -113.71 148.69 18.69 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.508 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.543 HD11 ' CG ' ' A' ' 81' ' ' PRO . 0.4 OUTLIER -162.44 106.51 1.15 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.776 0.322 . . . . 0.0 110.888 -179.879 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -124.23 140.86 52.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.078 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 85.3 mt -84.98 104.82 15.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.972 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 179.928 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.153 0 CA-C-O 120.824 0.26 . . . . 0.0 112.34 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.707 HG21 ' HB1' ' A' ' 77' ' ' ALA . 5.9 p -103.86 -41.81 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 115' ' ' VAL . 22.7 p 34.2 45.38 0.12 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 85.3 m -160.89 122.35 2.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.075 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.55 HG22 ' HB3' ' A' ' 122' ' ' ALA . 6.3 p -165.57 135.83 2.88 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.58 0.705 . . . . 0.0 111.131 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.463 ' HD2' ' CG2' ' A' ' 118' ' ' VAL . 53.6 Cg_endo -69.77 168.5 21.4 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.685 2.257 . . . . 0.0 112.325 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 -0.28 6.67 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.701 2.267 . . . . 0.0 112.294 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -100.43 -5.22 54.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.53 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.55 ' HB3' HG22 ' A' ' 118' ' ' VAL . . . -126.19 150.33 48.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.728 0.299 . . . . 0.0 111.096 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -132.18 153.18 50.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.829 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' TRP . . . . . 0.454 ' CZ3' ' HG2' ' A' ' 28' ' ' GLN . 31.6 m95 -111.47 100.56 9.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.458 HD21 ' CD2' ' A' ' 38' ' ' LEU . 2.6 pp -115.4 170.06 8.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' THR . . . . . 0.491 HG22 ' CG ' ' A' ' 35' ' ' GLN . 4.5 p -87.15 167.39 14.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.149 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -52.04 -41.2 62.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -67.6 -50.94 55.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.946 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -52.93 -37.37 60.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.685 ' CE1' ' CZ ' ' A' ' 53' ' ' PHE . 4.0 t80 -55.25 -56.2 22.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 45.0 m80 -51.35 -45.01 62.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.805 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 20.4 p -75.04 -7.43 53.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 130' ' ' PHE . . . -80.89 176.26 9.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.016 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.479 ' HB1' HD12 ' A' ' 50' ' ' LEU . . . -94.73 95.79 8.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.761 HG12 ' HB2' ' A' ' 139' ' ' MET . 0.5 OUTLIER -125.73 157.79 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.159 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 136' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 139' ' ' MET . 2.5 m -83.78 141.7 31.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.647 HG22 ' HE3' ' A' ' 141' ' ' LYS . 97.0 m -33.4 -69.26 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.188 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.731 ' O ' HG23 ' A' ' 142' ' ' VAL . . . -40.31 -40.62 1.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 139' ' ' MET . . . . . 0.761 ' HB2' HG12 ' A' ' 135' ' ' VAL . 20.6 mmm -72.19 -39.91 68.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.838 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 140' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 137' ' ' THR . 3.0 mtpm? -66.11 -22.22 66.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.952 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.647 ' HE3' HG22 ' A' ' 137' ' ' THR . 8.6 ptpt -96.11 -10.18 28.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 138' ' ' ALA . 8.8 t -76.94 -25.59 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.505 ' CZ ' ' HG3' ' A' ' 147' ' ' GLN . 83.4 t80 -77.73 -57.19 3.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.45 ' CD ' ' HA ' ' A' ' 141' ' ' LYS . 6.9 ptm180 -46.95 -26.87 1.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.698 HG11 HG21 ' A' ' 104' ' ' VAL . 96.5 t -80.23 -36.6 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 146' ' ' TYR . . . . . 0.561 ' CE2' ' OE1' ' A' ' 147' ' ' GLN . 2.2 t80 -69.43 -32.36 71.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 147' ' ' GLN . . . . . 0.561 ' OE1' ' CE2' ' A' ' 146' ' ' TYR . 12.3 mm100 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.233 0.235 0 CA-C-O 120.778 0.241 . . . . 0.0 112.266 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.4 mtt180 -38.13 -59.25 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -97.02 100.21 11.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -139.31 113.48 8.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.942 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.3 m -114.87 147.3 40.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.811 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 24.4 m -155.25 153.12 30.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.853 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -117.64 109.38 16.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.088 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.5 t -102.91 139.62 38.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.164 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.471 ' SG ' ' N ' ' A' ' 25' ' ' VAL . 1.4 t -118.44 159.34 23.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.471 ' N ' ' SG ' ' A' ' 24' ' ' CYS . 69.5 t -113.55 87.74 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 27.6 tp -73.12 122.55 22.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -126.27 154.06 43.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.929 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -138.63 150.7 66.89 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.628 0.728 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 121.32 8.01 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.676 2.25 . . . . 0.0 112.312 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -114.85 147.37 18.89 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.538 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -45.87 -66.85 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.805 0.336 . . . . 0.0 111.053 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.7 mt -60.51 -39.88 89.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.958 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -167.79 -104.59 0.18 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.457 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -160.39 147.53 15.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.69 0.281 . . . . 0.0 111.174 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -132.71 158.54 42.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.426 HD12 ' CE1' ' A' ' 53' ' ' PHE . 3.6 pt -113.96 175.11 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.544 HD13 ' NE1' ' A' ' 124' ' ' TRP . 21.0 tp -101.62 149.85 23.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.966 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.694 HD22 HD21 ' A' ' 125' ' ' LEU . 10.4 tp -145.42 121.82 10.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.9 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.4 m -106.63 145.02 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.179 179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.483 ' HB2' ' CZ3' ' A' ' 51' ' ' TRP . 52.4 tt0 -100.41 158.27 16.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 49.3 mtt-85 . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 121.619 0.723 . . . . 0.0 110.891 -179.894 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.5 mm? . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.834 0.35 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.832 ' O ' HG13 ' A' ' 135' ' ' VAL . 97.6 m95 -98.21 131.22 44.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.427 ' CB ' ' HG3' ' A' ' 139' ' ' MET . 1.2 pm0 -158.65 148.23 19.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.601 ' CZ ' ' CE2' ' A' ' 130' ' ' PHE . 5.5 m-85 -51.05 151.23 4.79 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.689 0.757 . . . . 0.0 110.838 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.414 ' HG2' HD21 ' A' ' 73' ' ' LEU . 53.7 Cg_endo -69.81 143.95 52.25 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.764 2.309 . . . . 0.0 112.306 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 75.8 p -146.52 168.5 21.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.48 HG12 ' CB ' ' A' ' 72' ' ' GLU . 5.2 m -133.45 173.49 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.044 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.5 p -55.88 143.5 31.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.196 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.498 ' CH2' ' HA ' ' A' ' 60' ' ' PRO . 80.1 t90 -60.51 164.07 4.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.954 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.445 ' N ' ' CG ' ' A' ' 58' ' ' TRP . 38.0 mm-40 -143.5 134.65 12.58 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.596 0.712 . . . . 0.0 110.895 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.498 ' HA ' ' CH2' ' A' ' 58' ' ' TRP . 54.0 Cg_endo -69.67 -21.84 33.33 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.643 2.229 . . . . 0.0 112.405 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.6 t -106.49 156.54 18.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -71.71 -36.6 70.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -73.36 -51.63 16.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.849 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.1 mp -51.05 -36.25 38.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.431 ' NE2' ' HA ' ' A' ' 65' ' ' GLN . 6.4 tp60 -62.05 -57.7 10.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.917 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -59.96 -49.19 78.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.3 mtmp? -42.82 -67.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.507 ' O ' ' N ' ' A' ' 70' ' ' LEU . . . -61.61 -55.28 32.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.864 HD23 HD21 ' A' ' 85' ' ' LEU . 20.1 tp -34.84 -31.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.755 HD22 ' HB3' ' A' ' 80' ' ' LEU . 90.7 mt -90.47 -43.41 10.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 68' ' ' ALA . 5.6 pt20 -46.85 -26.54 1.0 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.48 ' CB ' HG12 ' A' ' 56' ' ' VAL . 6.6 tp10 -91.57 -46.51 7.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.414 HD21 ' HG2' ' A' ' 54' ' ' PRO . 11.6 mt -50.51 -48.88 56.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -52.19 -43.5 64.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.969 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -51.91 -32.75 33.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.446 ' O ' ' CD ' ' A' ' 119' ' ' PRO . 81.0 m95 -88.7 -67.21 0.85 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.956 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.459 ' HA ' HG21 ' A' ' 115' ' ' VAL . . . -79.19 -72.78 0.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.049 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 150.08 -100.16 0.2 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.469 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.549 ' O ' HD22 ' A' ' 80' ' ' LEU . 53.7 Cg_endo -69.79 112.6 3.13 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.684 2.256 . . . . 0.0 112.313 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.755 ' HB3' HD22 ' A' ' 70' ' ' LEU . 4.4 mm? -126.28 124.08 24.38 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.643 0.735 . . . . 0.0 110.898 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.921 ' HG2' HD21 ' A' ' 107' ' ' LEU . 54.1 Cg_endo -69.71 168.75 20.6 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.622 2.215 . . . . 0.0 112.338 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -113.69 -52.21 2.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.426 ' H ' HG22 ' A' ' 83' ' ' THR . 0.8 OUTLIER -68.25 -32.35 72.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 -179.905 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -60.9 -36.22 78.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.864 HD21 HD23 ' A' ' 69' ' ' LEU . 21.7 tp -59.77 153.18 21.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 28.1 ptt-85 -167.31 157.79 11.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.84 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -93.4 117.33 29.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.823 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 16.7 mt -122.2 91.89 3.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.72 -175.91 21.46 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.477 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -149.47 169.35 21.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.859 0.361 . . . . 0.0 110.916 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.456 HG23 ' CG2' ' A' ' 104' ' ' VAL . 87.0 t -141.69 107.87 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.122 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.677 HG22 HG23 ' A' ' 101' ' ' THR . 27.5 t -113.66 107.08 22.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.145 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.588 ' CE1' ' CE1' ' A' ' 95' ' ' PHE . 50.9 t-80 -101.61 157.27 16.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.834 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 19.3 m -126.84 123.89 38.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.188 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.588 ' CE1' ' CE1' ' A' ' 93' ' ' HIS . 29.1 m-85 -107.73 -179.85 4.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.539 ' O ' ' N ' ' A' ' 98' ' ' ILE . 5.6 m -48.25 125.38 9.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.587 ' O ' ' CG ' ' A' ' 97' ' ' HIS . 2.9 p-80 34.62 30.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.851 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.539 ' N ' ' O ' ' A' ' 96' ' ' SER . 52.3 mt -146.0 157.62 12.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.155 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.491 ' N ' HG22 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -139.78 130.69 26.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.825 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.474 ' N ' ' HD2' ' A' ' 99' ' ' LYS . 3.6 mm? -115.58 152.73 32.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.95 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.677 HG23 HG22 ' A' ' 92' ' ' VAL . 96.0 m -135.38 111.4 9.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.128 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -110.09 134.39 52.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 51.5 mm-40 -102.32 115.71 31.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.925 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.789 HG22 HG13 ' A' ' 142' ' ' VAL . 51.8 t -71.72 127.04 33.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.068 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -139.18 121.61 16.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -97.17 140.74 15.22 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.47 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.921 HD21 ' HG2' ' A' ' 81' ' ' PRO . 2.1 tm? -155.09 119.3 4.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.797 0.332 . . . . 0.0 110.925 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.578 ' N ' HD13 ' A' ' 107' ' ' LEU . . . -126.05 156.7 39.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 26.1 mt -91.44 128.37 37.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 179.932 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.464 -0.209 0 CA-C-O 120.832 0.263 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.801 HG11 ' CZ2' ' A' ' 124' ' ' TRP . 7.2 p -120.39 44.93 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.177 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.407 ' H ' HG22 ' A' ' 116' ' ' THR . 0.1 OUTLIER -59.64 -4.52 0.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.176 -179.926 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.419 ' H ' ' C ' ' A' ' 115' ' ' VAL . 6.9 m -110.65 109.01 19.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.632 ' CG2' ' HB3' ' A' ' 122' ' ' ALA . 13.1 p -124.75 136.71 28.3 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.677 0.751 . . . . 0.0 111.155 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.494 ' HD2' HG23 ' A' ' 118' ' ' VAL . 53.8 Cg_endo -69.75 167.43 24.44 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.705 2.27 . . . . 0.0 112.292 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 108.44 2.07 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.669 2.246 . . . . 0.0 112.341 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 134.26 -13.41 4.62 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.561 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.632 ' HB3' ' CG2' ' A' ' 118' ' ' VAL . . . -110.52 152.59 26.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.709 0.29 . . . . 0.0 111.174 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 11.6 ttm-85 -134.68 149.75 50.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.826 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' TRP . . . . . 0.801 ' CZ2' HG11 ' A' ' 115' ' ' VAL . 45.0 m95 -119.0 108.33 14.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.694 HD21 HD22 ' A' ' 38' ' ' LEU . 1.6 pp -121.97 169.84 10.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 10.7 p -82.37 167.94 18.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -63.22 -34.86 78.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -75.71 -18.27 59.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -81.36 -49.1 11.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.847 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.601 ' CE2' ' CZ ' ' A' ' 53' ' ' PHE . 15.0 t80 -46.28 -40.21 11.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.825 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -58.74 -41.42 86.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 28.7 p -84.74 -18.07 36.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.079 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -67.24 170.29 7.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.081 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -92.68 97.03 10.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.091 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.832 HG13 ' O ' ' A' ' 51' ' ' TRP . 1.1 t -123.09 154.74 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 136' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 137' ' ' THR . 27.2 t -78.09 138.36 38.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.79 HG22 ' HD2' ' A' ' 141' ' ' LYS . 32.2 m -34.4 -69.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.148 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 137' ' ' THR . . . -35.21 -47.59 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.092 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 139' ' ' MET . . . . . 0.539 ' HB2' HG12 ' A' ' 135' ' ' VAL . 34.4 mmm -67.61 -48.31 67.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 11.7 mtpt -56.53 -17.56 8.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.79 ' HD2' HG22 ' A' ' 137' ' ' THR . 5.8 mtpm? -91.03 -18.54 24.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.789 HG13 HG22 ' A' ' 104' ' ' VAL . 71.2 t -76.73 -44.43 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.147 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.417 ' CZ ' ' CD ' ' A' ' 147' ' ' GLN . 37.5 t80 -56.38 -55.14 37.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -53.18 -35.72 60.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 141' ' ' LYS . 75.4 t -72.64 -27.78 26.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.196 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -78.68 -46.41 19.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.918 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 147' ' ' GLN . . . . . 0.417 ' CD ' ' CZ ' ' A' ' 143' ' ' PHE . 20.7 mt-30 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.146 0 CA-C-O 120.778 0.241 . . . . 0.0 112.286 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 16' ' ' PRO . 18.4 mtm180 -37.85 -37.82 0.26 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -107.3 100.19 9.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -143.59 113.62 7.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.4 m -124.93 138.41 54.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.808 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.0 m -155.75 156.43 34.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -122.88 108.05 12.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.068 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.484 ' CG2' HG11 ' A' ' 142' ' ' VAL . 14.5 t -96.31 149.19 21.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.463 ' HB2' HD21 ' A' ' 69' ' ' LEU . 3.9 t -124.8 151.2 45.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.492 HG11 ' CD2' ' A' ' 146' ' ' TYR . 93.4 t -101.71 113.42 37.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.603 HD23 HD22 ' A' ' 37' ' ' LEU . 61.0 tp -98.43 104.03 16.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -116.7 142.25 47.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.563 ' HG2' HD12 ' A' ' 109' ' ' LEU . 81.0 mt-30 -130.18 147.77 67.07 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.611 0.72 . . . . 0.0 110.954 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 121.37 8.06 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.685 2.256 . . . . 0.0 112.319 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -114.84 170.34 13.22 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.458 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.84 -52.14 66.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.842 0.353 . . . . 0.0 111.14 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 84.8 mt -68.96 -42.76 76.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.1 -94.38 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -148.09 163.29 37.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.694 0.283 . . . . 0.0 111.148 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.561 ' HG3' HG22 ' A' ' 126' ' ' THR . 1.1 mp0 -151.51 138.36 18.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.481 HD11 ' HA ' ' A' ' 127' ' ' GLN . 1.7 pt -100.7 175.67 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.122 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.603 HD22 HD23 ' A' ' 26' ' ' LEU . 27.9 tp -108.74 142.73 38.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.485 ' CD2' ' HB3' ' A' ' 51' ' ' TRP . 8.3 tp -136.14 137.88 41.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.413 HG12 ' HB2' ' A' ' 122' ' ' ALA . 27.7 m -131.09 139.49 50.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.144 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -70.48 156.22 39.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 121.661 0.743 . . . . 0.0 110.83 -179.878 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.508 HD12 ' HB1' ' A' ' 134' ' ' ALA . 2.5 mm? . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.791 0.329 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.485 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 57.9 m95 -75.79 108.65 8.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -132.82 160.4 37.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.701 ' CZ ' ' CE2' ' A' ' 130' ' ' PHE . 25.1 m-85 -67.04 145.5 98.87 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.573 0.701 . . . . 0.0 110.965 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 139.66 40.73 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.625 2.216 . . . . 0.0 112.377 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 65.2 p -146.69 172.04 14.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.455 HG12 ' HB2' ' A' ' 72' ' ' GLU . 9.8 m -129.33 178.66 4.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.5 t -65.09 145.8 55.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 76.6 t90 -56.26 153.88 8.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.974 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -138.22 130.6 16.17 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.613 0.721 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -27.48 26.26 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.59 2.193 . . . . 0.0 112.355 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.6 m -94.06 150.28 20.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -68.86 -35.46 76.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -77.95 -57.42 3.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.964 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.8 mp -41.07 -42.46 1.97 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.95 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.452 ' NE2' ' HA ' ' A' ' 65' ' ' GLN . 0.0 OUTLIER -56.92 -54.0 51.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.893 179.919 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.452 ' NH2' ' O ' ' A' ' 85' ' ' LEU . 60.7 mtp180 -67.1 -32.25 73.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 56.6 mttt -58.2 -55.58 33.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 71' ' ' GLN . . . -74.0 -48.35 30.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.12 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.823 HD23 HD21 ' A' ' 85' ' ' LEU . 53.2 tp -33.71 -36.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 68' ' ' ALA . 94.8 mt -85.65 -44.35 12.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.846 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 68' ' ' ALA . 2.3 pt20 -40.96 -31.36 0.17 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.455 ' HB2' HG12 ' A' ' 56' ' ' VAL . 13.3 tt0 -85.42 -54.38 4.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.82 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.9 mt -42.79 -52.61 4.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -49.66 -43.17 46.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 53.2 mtp85 -55.43 -27.5 48.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 89.2 m95 -90.6 -69.09 0.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -79.21 -73.46 0.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.106 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 156.62 -106.69 0.3 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.464 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.727 ' O ' HD22 ' A' ' 80' ' ' LEU . 53.6 Cg_endo -69.79 115.47 4.11 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.62 2.213 . . . . 0.0 112.372 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.727 HD22 ' O ' ' A' ' 79' ' ' PRO . 3.9 mm? -128.2 127.67 23.75 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.635 0.731 . . . . 0.0 110.871 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.439 ' HG2' HD21 ' A' ' 107' ' ' LEU . 53.8 Cg_endo -69.7 -172.92 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.674 2.25 . . . . 0.0 112.384 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -131.47 -56.02 1.02 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.057 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 40.0 p -59.17 -23.38 62.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 4.2 m170 -72.59 -40.32 66.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.846 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.823 HD21 HD23 ' A' ' 69' ' ' LEU . 56.4 tp -57.64 128.49 37.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.962 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 46.7 mtt85 -145.55 128.14 16.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.471 ' HB2' ' CE1' ' A' ' 105' ' ' TYR . 18.0 t-80 -70.14 122.07 18.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.411 ' O ' HG12 ' A' ' 145' ' ' VAL . 30.5 mt -121.96 94.25 4.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.946 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.444 ' O ' ' NE2' ' A' ' 87' ' ' HIS . . . 69.27 -172.8 37.27 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.516 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -144.58 171.1 14.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.865 0.364 . . . . 0.0 110.901 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.84 HG21 ' HA ' ' A' ' 142' ' ' VAL . 52.2 t -143.34 109.24 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.138 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 44.5 t -120.79 108.93 23.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -101.17 115.13 29.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.444 HG22 ' HG3' ' A' ' 99' ' ' LYS . 2.1 p -87.3 109.82 19.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.551 ' CD2' HD23 ' A' ' 100' ' ' LEU . 80.2 m-85 -82.1 175.41 10.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 18.8 m -44.53 -75.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.401 ' C ' HG13 ' A' ' 98' ' ' ILE . 4.6 p-80 -113.59 24.82 11.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.401 HG13 ' C ' ' A' ' 97' ' ' HIS . 18.2 mt -139.58 150.61 22.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.161 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.444 ' HG3' HG22 ' A' ' 94' ' ' THR . 1.0 OUTLIER -124.93 117.9 25.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.917 179.834 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.551 HD23 ' CD2' ' A' ' 95' ' ' PHE . 3.8 mm? -108.8 140.49 42.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 27.7 m -130.08 107.43 9.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.089 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -106.45 133.96 50.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -100.58 118.19 36.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.641 HG22 HG13 ' A' ' 142' ' ' VAL . 58.0 t -75.24 121.79 27.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.124 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.618 ' HB3' HD11 ' A' ' 85' ' ' LEU . 19.2 m-85 -132.17 106.75 8.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.448 ' O ' HD12 ' A' ' 85' ' ' LEU . . . -79.53 146.76 29.04 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.483 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.521 ' C ' HD13 ' A' ' 107' ' ' LEU . 2.2 tm? -166.05 115.67 0.98 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.789 0.328 . . . . 0.0 110.889 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.421 ' N ' HD13 ' A' ' 107' ' ' LEU . . . -136.92 155.39 49.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.563 HD12 ' HG2' ' A' ' 28' ' ' GLN . 84.9 mt -92.42 101.58 14.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.913 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 179.937 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.232 0.196 0 CA-C-O 120.818 0.258 . . . . 0.0 112.342 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.763 HG22 HG22 ' A' ' 117' ' ' THR . 5.5 p -98.56 -42.63 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.081 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.41 ' N ' HG13 ' A' ' 115' ' ' VAL . 29.4 p 39.36 41.43 0.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.106 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.763 HG22 HG22 ' A' ' 115' ' ' VAL . 9.7 t -165.47 155.22 12.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.601 ' CG2' ' HB3' ' A' ' 122' ' ' ALA . 13.5 p -175.71 135.99 0.49 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.577 0.703 . . . . 0.0 111.169 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.461 ' HD2' HG23 ' A' ' 118' ' ' VAL . 53.6 Cg_endo -69.68 170.06 17.35 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.702 2.268 . . . . 0.0 112.395 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 1.92 4.0 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.719 2.28 . . . . 0.0 112.33 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -114.06 14.97 21.23 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.449 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.601 ' HB3' ' CG2' ' A' ' 118' ' ' VAL . . . -142.95 147.26 34.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.742 0.306 . . . . 0.0 111.074 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.451 ' NH2' ' CG ' ' A' ' 51' ' ' TRP . 15.0 ptt180 -136.57 149.28 48.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 36.5 m95 -109.51 113.12 25.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.409 HD21 HD22 ' A' ' 38' ' ' LEU . 1.5 pp -130.95 169.98 15.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.991 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' THR . . . . . 0.561 HG22 ' HG3' ' A' ' 35' ' ' GLN . 26.1 p -80.3 159.66 25.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.135 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.481 ' HA ' HD11 ' A' ' 36' ' ' ILE . 18.5 mt-30 -54.5 -37.6 65.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -68.02 -50.41 55.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -53.59 -36.62 62.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.701 ' CE2' ' CZ ' ' A' ' 53' ' ' PHE . 6.6 t80 -62.28 -53.9 48.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -40.06 -48.13 2.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.838 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 72.9 p -74.31 -37.49 63.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.12 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.62 ' O ' HG23 ' A' ' 135' ' ' VAL . . . -47.65 145.6 2.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.136 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.508 ' HB1' HD12 ' A' ' 50' ' ' LEU . . . -65.75 100.62 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.004 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.694 HG12 ' HB2' ' A' ' 139' ' ' MET . 1.7 t -136.41 152.15 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.168 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 22.7 t -64.77 161.28 18.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.804 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 52.2 m -53.65 -55.92 21.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.111 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.474 ' O ' HG23 ' A' ' 142' ' ' VAL . . . -50.68 -63.75 1.03 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 139' ' ' MET . . . . . 0.694 ' HB2' HG12 ' A' ' 135' ' ' VAL . 29.5 mmm -46.54 -36.51 6.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -71.82 -44.1 64.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.476 ' O ' HG23 ' A' ' 145' ' ' VAL . 3.3 ptmm? -81.02 -9.56 59.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.84 ' HA ' HG21 ' A' ' 91' ' ' VAL . 5.1 t -77.56 -23.84 14.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.505 ' O ' ' N ' ' A' ' 146' ' ' TYR . 66.3 t80 -76.36 -66.28 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 143' ' ' PHE . 5.6 ptm180 -38.27 -28.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 141' ' ' LYS . 99.4 t -76.68 -42.38 34.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 146' ' ' TYR . . . . . 0.505 ' N ' ' O ' ' A' ' 143' ' ' PHE . 1.6 t80 -58.98 -54.86 42.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 147' ' ' GLN . . . . . 0.437 ' NE2' ' OE1' ' A' ' 127' ' ' GLN . 33.2 mm-40 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -58.98 102.29 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.859 0.362 . . . . 0.0 110.881 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.4 t -82.43 158.71 23.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.794 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.27 168.07 42.62 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.448 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.0 m -108.89 152.24 25.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.885 0.374 . . . . 0.0 110.843 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.2 m -114.59 129.31 56.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.79 70.69 1.04 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.434 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.77 1.51 4.38 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.686 2.257 . . . . 0.0 112.385 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -55.81 -49.74 72.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 11' ' ' ALA . 23.5 pttt -54.34 179.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 10' ' ' LYS . . . -35.58 125.35 0.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.0 m -55.74 107.04 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -130.47 -51.47 1.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.816 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 50.7 mmtt -103.81 150.92 38.69 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.599 0.714 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 161.04 47.45 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.653 2.236 . . . . 0.0 112.33 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.474 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.7 Cg_endo -69.81 -19.15 36.26 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.682 2.255 . . . . 0.0 112.381 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.474 ' C ' ' O ' ' A' ' 16' ' ' PRO . 61.8 mtt180 -32.15 -53.98 0.3 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.831 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -97.14 100.24 11.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -139.82 113.47 8.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.4 m -121.73 140.4 52.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.801 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.1 m -150.45 153.12 35.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.893 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.504 ' CB ' ' CD ' ' A' ' 65' ' ' GLN . . . -118.03 105.06 11.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.9 t -97.56 148.61 23.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.639 ' HB2' HD11 ' A' ' 69' ' ' LEU . 52.8 t -129.06 153.81 47.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.585 HG11 ' CE2' ' A' ' 146' ' ' TYR . 48.6 t -109.39 115.4 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.116 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 30.1 tp -98.85 127.64 44.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.522 ' HB2' HG22 ' A' ' 36' ' ' ILE . 19.8 tt0 -134.55 148.77 50.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.501 ' HG2' ' CZ3' ' A' ' 124' ' ' TRP . 7.9 pt20 -142.86 148.04 44.21 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.662 0.744 . . . . 0.0 110.854 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 139.43 40.1 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.792 2.328 . . . . 0.0 112.319 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -144.72 175.77 24.21 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.451 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -43.83 -59.67 2.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.821 0.343 . . . . 0.0 111.138 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 24.8 mt -56.58 -49.23 75.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.72 -64.97 0.14 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -170.04 125.02 0.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.806 0.336 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.08 146.97 44.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.522 HG22 ' HB2' ' A' ' 27' ' ' GLU . 5.3 pt -98.82 174.37 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.554 HD11 ' HB1' ' A' ' 122' ' ' ALA . 6.9 tp -107.59 148.45 29.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.8 HD22 HD21 ' A' ' 125' ' ' LEU . 10.5 tp -143.16 120.84 11.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.6 m -108.45 152.23 10.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -114.95 143.98 44.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -87.57 143.28 33.73 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.639 0.733 . . . . 0.0 110.834 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -19.24 36.29 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.352 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.558 ' C ' ' HB1' ' A' ' 48' ' ' ALA . 11.7 m120 -43.57 153.52 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.86 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.434 ' N ' ' HB1' ' A' ' 48' ' ' ALA . 9.1 p -133.51 134.34 43.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.838 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.517 ' N ' ' HB3' ' A' ' 48' ' ' ALA . . . 115.93 -145.38 18.68 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.522 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 48' ' ' ALA . 15.3 mt -55.31 134.78 50.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.924 0.392 . . . . 0.0 110.887 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 18.5 mt 39.26 28.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.939 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.558 ' HB1' ' C ' ' A' ' 43' ' ' ASN . . . -114.44 146.92 40.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.37 44.42 59.09 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.496 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -116.98 164.85 14.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.793 0.33 . . . . 0.0 110.946 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.539 ' O ' HG13 ' A' ' 135' ' ' VAL . 87.6 m95 -96.63 134.28 40.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.453 ' HA ' HD11 ' A' ' 38' ' ' LEU . 4.5 pt-20 -170.45 154.6 4.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.932 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.557 ' CZ ' ' CE1' ' A' ' 130' ' ' PHE . 7.7 m-85 -55.32 150.95 20.51 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.641 0.734 . . . . 0.0 110.841 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 144.12 52.87 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.717 2.278 . . . . 0.0 112.288 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.1 p -145.49 169.03 19.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.449 ' CG2' HE22 ' A' ' 65' ' ' GLN . 4.8 m -135.94 170.13 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.4 t -54.82 158.41 2.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 85.3 t90 -79.26 140.13 37.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.406 ' HB2' ' CA ' ' A' ' 65' ' ' GLN . 8.5 mm-40 -122.14 138.57 29.09 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.672 0.748 . . . . 0.0 110.849 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 -34.02 15.74 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.667 2.245 . . . . 0.0 112.339 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.8 t -89.57 132.87 34.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.89 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -57.9 -16.63 12.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.958 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -92.54 -49.48 6.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.5 mp -53.9 -37.15 63.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.504 ' CD ' ' CB ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -62.82 -57.17 11.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 -58.74 -45.32 89.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -51.32 -67.03 0.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.88 -38.22 84.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.071 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.639 HD11 ' HB2' ' A' ' 24' ' ' CYS . 24.5 tp -48.94 -41.09 32.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 71' ' ' GLN . 78.3 mt -74.22 -47.91 32.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 70' ' ' LEU . 10.3 mt-30 -36.49 -53.92 0.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.421 ' HB2' HG12 ' A' ' 56' ' ' VAL . 17.8 tp10 -57.93 -55.8 30.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 18.7 mt -45.95 -48.95 16.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -53.5 -41.92 66.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.974 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -50.72 -33.75 24.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.445 ' CE3' ' HB2' ' A' ' 122' ' ' ALA . 72.0 m95 -87.24 -71.57 0.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.943 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.98 -70.99 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.045 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 145.5 -99.43 0.21 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.48 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.426 ' C ' HD22 ' A' ' 80' ' ' LEU . 53.9 Cg_endo -69.69 108.76 2.14 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.722 2.281 . . . . 0.0 112.374 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.426 HD22 ' C ' ' A' ' 79' ' ' PRO . 4.5 mm? -121.52 134.55 24.59 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.576 0.703 . . . . 0.0 110.96 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.787 ' HG2' HD21 ' A' ' 107' ' ' LEU . 54.0 Cg_endo -69.75 -179.82 3.17 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.715 2.276 . . . . 0.0 112.316 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -125.94 -54.09 1.52 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.003 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 56.1 m -64.58 -31.23 72.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.182 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -64.48 -20.97 66.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.531 HD21 HD23 ' A' ' 69' ' ' LEU . 33.4 tp -73.59 133.24 43.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 -152.71 133.93 14.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.588 ' C ' HD23 ' A' ' 88' ' ' LEU . 6.3 t-80 -73.9 125.7 28.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.588 HD23 ' C ' ' A' ' 87' ' ' HIS . 1.9 mt -123.59 94.13 4.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 62.21 -169.09 14.48 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.547 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -147.71 170.36 17.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.912 0.387 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 32.0 t -139.34 108.7 3.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.174 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.467 HG22 ' HA ' ' A' ' 101' ' ' THR . 42.9 t -118.86 108.79 24.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.073 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 43.5 t60 -99.17 129.57 45.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.36 112.7 24.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.185 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -84.72 -175.07 5.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.4 m -50.98 -64.49 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.85 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.517 ' O ' ' CG ' ' A' ' 97' ' ' HIS . 0.4 OUTLIER -128.17 31.35 5.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.808 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.526 ' CG2' ' N ' ' A' ' 99' ' ' LYS . 18.7 mt -138.99 159.39 29.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.153 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.526 ' N ' ' CG2' ' A' ' 98' ' ' ILE . 2.2 tmtt? -135.12 118.37 16.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -110.03 143.21 40.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.467 ' HA ' HG22 ' A' ' 92' ' ' VAL . 21.8 m -127.92 100.69 6.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.133 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -100.86 131.97 46.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.905 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -98.9 112.62 24.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.932 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.601 HG22 HG13 ' A' ' 142' ' ' VAL . 47.9 t -70.66 127.63 32.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.188 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.442 ' CE1' ' HB2' ' A' ' 87' ' ' HIS . 14.8 m-85 -134.35 135.83 42.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -112.23 137.07 14.0 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.452 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.787 HD21 ' HG2' ' A' ' 81' ' ' PRO . 1.8 tm? -152.0 114.25 4.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.875 0.369 . . . . 0.0 110.942 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.493 ' N ' HD13 ' A' ' 107' ' ' LEU . . . -133.5 151.93 51.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.035 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.584 HD22 ' HB2' ' A' ' 112' ' ' GLN . 43.7 mt -93.54 103.41 15.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.958 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -50.46 -58.13 6.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.83 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -155.95 24.23 0.55 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.479 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.584 ' HB2' HD22 ' A' ' 109' ' ' LEU . 7.3 mm-40 -76.85 -179.92 5.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.928 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 77.8 p -72.82 142.93 83.86 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.622 0.725 . . . . 0.0 111.125 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -173.79 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.67 2.246 . . . . 0.0 112.333 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.3 p -109.26 -36.82 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.9 p 40.5 31.91 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.095 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 95.8 m -155.43 143.16 19.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.115 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.591 HG22 ' HB3' ' A' ' 122' ' ' ALA . 6.1 p -171.88 136.2 0.92 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.655 0.74 . . . . 0.0 111.118 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 118' ' ' VAL . 53.7 Cg_endo -69.81 169.89 17.92 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.722 2.282 . . . . 0.0 112.354 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 1.24 4.58 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.67 2.247 . . . . 0.0 112.35 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -107.77 1.07 34.03 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.499 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.591 ' HB3' HG22 ' A' ' 118' ' ' VAL . . . -133.53 138.79 46.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.78 0.324 . . . . 0.0 111.093 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.429 ' NH1' ' HB2' ' A' ' 123' ' ' ARG . 0.5 OUTLIER -126.56 141.12 51.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.826 -179.917 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 124' ' ' TRP . . . . . 0.501 ' CZ3' ' HG2' ' A' ' 28' ' ' GLN . 46.1 m95 -99.05 106.27 18.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.8 HD21 HD22 ' A' ' 38' ' ' LEU . 2.5 pp -117.35 169.9 9.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 5.8 p -87.44 -179.44 6.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -66.49 -43.69 84.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -73.5 -22.77 60.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -77.38 -34.24 54.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.659 ' O ' ' HB3' ' A' ' 133' ' ' ALA . 13.2 t80 -61.29 -55.21 34.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -44.05 -61.49 1.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.851 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 71.4 p -56.5 -19.07 13.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.106 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.659 ' HB3' ' O ' ' A' ' 130' ' ' PHE . . . -72.67 142.53 48.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.144 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.89 99.04 0.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.046 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.683 HG12 ' HB2' ' A' ' 139' ' ' MET . 1.1 t -126.81 140.92 47.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.184 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 137' ' ' THR . 3.5 p -68.3 140.1 55.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.489 HG22 ' HD2' ' A' ' 141' ' ' LYS . 44.1 m -34.9 -60.38 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.091 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 137' ' ' THR . . . -36.02 -58.65 0.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' MET . . . . . 0.683 ' HB2' HG12 ' A' ' 135' ' ' VAL . 44.1 mmm -61.25 -52.87 62.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -49.02 -23.07 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.81 ' O ' HG23 ' A' ' 145' ' ' VAL . 21.6 mtpp -84.14 -33.79 24.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.834 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.601 HG13 HG22 ' A' ' 104' ' ' VAL . 90.5 t -64.72 -34.12 67.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.145 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.52 ' CE2' ' CD ' ' A' ' 147' ' ' GLN . 85.8 t80 -62.86 -65.65 0.66 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.835 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -44.4 -33.07 1.54 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 141' ' ' LYS . 41.0 t -74.04 -43.34 51.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' TYR . . . . . 0.585 ' CE2' HG11 ' A' ' 25' ' ' VAL . 3.9 t80 -65.12 -31.34 72.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' GLN . . . . . 0.52 ' CD ' ' CE2' ' A' ' 143' ' ' PHE . 60.4 mt-30 -61.71 -32.45 72.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -39.18 -83.01 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.547 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -79.5 78.26 6.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 110.932 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 13.1 t -164.41 115.32 1.25 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -154.43 150.65 22.29 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.409 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -28.62 25.11 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.671 2.248 . . . . 0.0 112.329 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 33.9 t -39.94 153.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 68.5 p -46.06 171.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.829 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.519 179.948 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.545 -0.222 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.6 m -152.95 167.84 27.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.861 0.362 . . . . 0.0 110.904 -179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.7 p -49.0 115.93 1.47 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.63 -161.48 35.6 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.449 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -78.11 136.09 37.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.943 0.401 . . . . 0.0 110.787 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.5 t -65.93 139.61 58.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.886 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.551 ' O ' ' HB3' ' A' ' 11' ' ' ALA . . . 147.51 153.32 5.9 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.476 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -47.58 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.695 2.263 . . . . 0.0 112.366 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -84.9 -57.29 3.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -44.01 -45.62 7.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.974 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.551 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . -87.2 -175.53 5.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.096 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 72.0 m -45.47 168.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -71.64 78.92 0.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.0 mmtm -98.51 147.89 33.77 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.604 0.716 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 143.38 50.88 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.67 2.247 . . . . 0.0 112.351 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.7 Cg_endo -69.76 -44.25 2.19 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.731 2.288 . . . . 0.0 112.315 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 16' ' ' PRO . 23.7 mtp180 -34.75 -69.6 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.835 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -79.57 100.22 7.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -145.57 113.36 6.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.435 ' OG ' ' CB ' ' A' ' 58' ' ' TRP . 41.5 p -115.39 151.46 34.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.505 ' OG ' ' CE1' ' A' ' 102' ' ' TYR . 15.8 p -156.81 155.76 32.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.815 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -125.18 106.27 9.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.464 HG21 HG21 ' A' ' 142' ' ' VAL . 8.9 t -103.56 147.05 27.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.558 ' HB2' HD21 ' A' ' 69' ' ' LEU . 7.9 t -131.6 155.76 46.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 84.3 t -103.46 123.5 57.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.046 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.602 HD13 HD11 ' A' ' 80' ' ' LEU . 34.6 tp -108.91 109.22 20.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.956 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -119.16 145.16 46.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.805 ' HG2' HD12 ' A' ' 109' ' ' LEU . 79.6 mt-30 -138.11 141.41 32.08 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.611 0.719 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 120.41 7.21 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.635 2.223 . . . . 0.0 112.349 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -123.65 165.3 16.47 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.472 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.58 -56.57 2.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.852 0.358 . . . . 0.0 111.075 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.6 mt -57.69 -36.04 71.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 159.75 -71.73 0.23 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.543 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -172.99 139.36 0.83 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.848 0.356 . . . . 0.0 111.088 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -136.34 154.41 50.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.6 pt -104.52 172.48 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.486 HD22 HD23 ' A' ' 26' ' ' LEU . 4.3 tp -107.36 137.16 45.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.567 HD22 HD21 ' A' ' 125' ' ' LEU . 12.0 tp -128.65 121.71 29.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.433 HG11 ' CE2' ' A' ' 76' ' ' TRP . 20.4 m -104.63 137.05 35.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -95.15 149.03 21.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.889 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -69.17 155.1 94.22 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.531 0.681 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 169.68 18.36 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.646 2.231 . . . . 0.0 112.358 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -38.08 -55.13 1.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.4 t -98.64 165.95 11.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.845 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 46' ' ' LEU . . . 114.1 132.6 5.47 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 45' ' ' GLY . 14.6 mt -35.17 132.29 0.38 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.813 0.339 . . . . 0.0 110.976 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 48.4 mt 57.93 50.85 9.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.21 153.66 42.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.45 20.13 76.74 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.496 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -110.79 146.65 36.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.722 0.296 . . . . 0.0 110.995 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.508 ' CZ3' ' HG2' ' A' ' 123' ' ' ARG . 90.7 m95 -91.43 140.97 29.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.893 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -172.01 176.43 3.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.858 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.403 ' CD1' ' CD1' ' A' ' 38' ' ' LEU . 21.5 m-85 -78.73 152.21 77.48 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.572 0.701 . . . . 0.0 110.883 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 142.98 49.5 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 122.653 2.235 . . . . 0.0 112.295 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.7 p -142.85 150.5 39.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.821 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.5 m -117.94 -176.93 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.21 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.9 p -71.53 133.12 45.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.435 ' CB ' ' OG ' ' A' ' 20' ' ' SER . 83.8 t90 -52.25 155.47 1.99 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -141.24 133.61 14.06 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.598 0.713 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -10.6 28.95 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.664 2.243 . . . . 0.0 112.328 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.536 ' CB ' HD22 ' A' ' 64' ' ' LEU . 2.6 t -119.42 128.13 53.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.814 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -51.11 -33.77 27.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -73.19 -53.38 11.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.937 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.536 HD22 ' CB ' ' A' ' 61' ' ' SER . 0.9 OUTLIER -50.59 -32.48 18.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -71.03 -60.05 2.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.952 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.555 ' HB3' HD23 ' A' ' 85' ' ' LEU . 36.5 mtm180 -59.59 -19.36 48.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -75.52 -60.84 2.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.835 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.63 -27.57 63.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.07 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.731 HD23 HD21 ' A' ' 85' ' ' LEU . 14.0 tp -50.13 -56.46 10.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.713 HD22 ' HB3' ' A' ' 80' ' ' LEU . 73.8 mt -60.95 -46.75 89.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.958 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -38.97 -44.28 1.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -73.26 -50.26 23.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.853 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 47.8 mt -49.18 -51.43 32.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -48.66 -38.22 20.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.947 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -57.29 -32.74 66.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.825 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.433 ' CE2' HG11 ' A' ' 39' ' ' VAL . 70.2 m95 -87.29 -69.4 0.69 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.921 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -79.67 -71.18 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.113 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 147.84 -98.51 0.19 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.47 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.426 ' O ' HD22 ' A' ' 80' ' ' LEU . 53.7 Cg_endo -69.75 106.86 1.73 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.754 2.303 . . . . 0.0 112.285 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.713 ' HB3' HD22 ' A' ' 70' ' ' LEU . 4.4 mm? -123.27 120.27 27.27 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.59 0.709 . . . . 0.0 110.866 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.474 ' HG2' HD21 ' A' ' 107' ' ' LEU . 53.9 Cg_endo -69.74 167.5 24.23 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.729 2.286 . . . . 0.0 112.281 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -101.35 -70.06 0.76 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 79.5 p -43.91 -49.94 8.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -43.72 -41.67 4.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.731 HD21 HD23 ' A' ' 69' ' ' LEU . 22.9 tp -59.22 131.21 50.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 32.2 mtm180 -147.66 147.78 30.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -87.37 115.97 25.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.5 mt -117.31 95.73 5.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 61.33 -171.99 7.8 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.486 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -145.43 171.0 15.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.957 0.408 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.427 HG23 ' CG2' ' A' ' 104' ' ' VAL . 47.9 t -141.24 105.25 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.645 HG13 ' O ' ' A' ' 100' ' ' LEU . 97.8 t -120.14 109.33 25.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -98.89 121.86 41.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 30.7 m -90.59 111.17 22.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -85.11 -177.25 6.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 53.1 m -49.09 -72.52 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.825 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 32.9 p80 -117.63 17.89 14.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.816 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.423 HG22 ' N ' ' A' ' 99' ' ' LYS . 24.6 mt -129.48 152.92 37.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.568 ' HE2' HG11 ' A' ' 92' ' ' VAL . 2.2 tmtt? -133.14 118.16 18.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.645 ' O ' HG13 ' A' ' 92' ' ' VAL . 4.1 mm? -105.88 144.93 31.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.871 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.411 ' HA ' HG22 ' A' ' 92' ' ' VAL . 85.7 m -131.16 104.34 7.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.505 ' CE1' ' OG ' ' A' ' 21' ' ' SER . 65.9 m-85 -106.61 130.24 54.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.957 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -94.01 111.07 22.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.427 ' CG2' HG23 ' A' ' 91' ' ' VAL . 90.2 t -70.37 123.04 23.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.055 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -130.53 138.42 50.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.933 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -109.48 132.75 11.23 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.469 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.576 ' C ' HD13 ' A' ' 107' ' ' LEU . 2.4 tm? -145.61 106.37 4.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.802 0.334 . . . . 0.0 110.947 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -130.34 144.2 51.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.094 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.805 HD12 ' HG2' ' A' ' 28' ' ' GLN . 60.9 mt -85.4 105.25 15.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.933 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -54.42 -66.97 0.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -145.73 71.89 0.34 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -132.84 -175.8 3.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.808 0.337 . . . . 0.0 110.986 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 44.8 p -82.13 143.2 48.67 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.632 0.73 . . . . 0.0 111.101 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 -179.36 2.84 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.686 2.257 . . . . 0.0 112.302 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 6.8 p -97.59 -33.5 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.7 p 38.94 37.12 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.157 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 18.9 m -165.76 154.8 11.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.607 ' CG2' ' HB3' ' A' ' 122' ' ' ALA . 9.2 p -167.46 137.38 2.28 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.674 0.749 . . . . 0.0 111.109 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.568 ' HD2' HG23 ' A' ' 118' ' ' VAL . 54.2 Cg_endo -69.81 166.4 27.77 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.704 2.269 . . . . 0.0 112.362 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.65 100.3 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.73 2.286 . . . . 0.0 112.371 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 142.27 -13.69 2.54 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.47 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.607 ' HB3' ' CG2' ' A' ' 118' ' ' VAL . . . -114.41 155.4 26.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.815 0.341 . . . . 0.0 111.106 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.508 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 1.8 ptp180 -139.4 141.85 37.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.858 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 24.0 m95 -101.85 110.01 21.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.567 HD21 HD22 ' A' ' 38' ' ' LEU . 2.3 pp -124.81 169.71 11.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 11.1 p -84.32 177.01 8.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -66.19 -30.66 71.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -79.19 -48.41 14.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -56.55 -20.77 22.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.809 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.504 ' CE1' HG21 ' A' ' 135' ' ' VAL . 27.5 t80 -72.05 -63.49 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' HIS . . . . . 0.41 ' C ' ' O ' ' A' ' 130' ' ' PHE . 3.6 m-70 -36.85 -46.82 0.65 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 81.3 p -67.38 -47.81 69.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.126 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.441 ' O ' HG23 ' A' ' 135' ' ' VAL . . . -45.04 155.11 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.096 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -72.68 102.92 3.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.152 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.712 HG12 ' HB2' ' A' ' 139' ' ' MET . 1.1 t -131.02 148.07 33.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.196 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 40.3 t -76.66 152.34 35.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.0 0.429 . . . . 0.0 110.797 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.659 HG22 ' HD2' ' A' ' 141' ' ' LYS . 25.4 m -42.25 -67.77 0.24 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.167 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 137' ' ' THR . . . -37.57 -58.83 0.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' MET . . . . . 0.712 ' HB2' HG12 ' A' ' 135' ' ' VAL . 47.8 mmm -54.09 -56.26 19.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 17.0 mtpt -48.56 -30.62 5.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.968 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.659 ' HD2' HG22 ' A' ' 137' ' ' THR . 17.9 mtpt -77.2 -28.59 53.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.464 HG21 HG21 ' A' ' 23' ' ' THR . 18.7 t -64.89 -15.91 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -83.94 -53.68 5.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.417 ' NH1' ' HB2' ' A' ' 144' ' ' ARG . 0.4 OUTLIER -60.35 -19.58 56.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.904 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 141' ' ' LYS . 69.9 t -86.05 -27.15 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -76.3 -36.28 58.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -58.89 -31.95 69.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.94 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -40.55 -36.6 1.05 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.509 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -144.41 110.04 5.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.8 0.333 . . . . 0.0 110.933 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 2.8 t -81.05 -62.5 1.65 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.799 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 172.39 -92.01 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.535 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -29.71 23.3 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.68 2.253 . . . . 0.0 112.374 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 6.1 m -142.22 149.26 39.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 9.4 t -111.0 -61.82 1.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.554 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.401 0 N-CA-C 112.55 -0.22 . . . . 0.0 112.55 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.6 m -50.72 96.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.921 0.391 . . . . 0.0 110.869 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.8 p -101.73 145.76 28.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.826 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.91 137.48 10.49 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.521 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -128.22 -50.95 1.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.877 0.37 . . . . 0.0 110.821 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.9 p 41.88 38.27 0.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.803 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.8 -156.48 31.42 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.451 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 157.96 58.52 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.672 2.248 . . . . 0.0 112.326 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.8 ptt180 -165.82 -176.05 3.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.0 mmtp -41.89 -67.13 0.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.4 175.27 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.085 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.4 m -100.93 49.22 0.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -72.15 -67.47 0.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.848 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.4 152.13 37.74 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.526 0.679 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 146.73 61.29 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.764 2.309 . . . . 0.0 112.34 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.7 Cg_endo -69.78 -26.58 27.36 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.645 2.23 . . . . 0.0 112.389 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 16' ' ' PRO . 36.1 mtp180 -35.34 -50.5 0.56 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.842 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -96.92 100.15 11.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -140.45 113.55 8.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.8 m -123.87 139.34 54.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.2 m -154.38 152.99 30.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.817 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.437 ' CB ' ' OE1' ' A' ' 65' ' ' GLN . . . -116.67 111.86 20.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.083 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.429 HG23 HG11 ' A' ' 142' ' ' VAL . 14.0 t -104.03 149.44 25.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.693 ' HB2' HD21 ' A' ' 69' ' ' LEU . 1.5 t -128.78 159.3 36.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.85 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.472 ' N ' ' SG ' ' A' ' 24' ' ' CYS . 62.3 t -110.28 101.33 12.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.152 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.632 HD13 HD11 ' A' ' 80' ' ' LEU . 19.2 tp -87.27 120.0 28.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.488 ' OE1' ' NE2' ' A' ' 127' ' ' GLN . 29.0 tt0 -128.59 137.93 51.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -120.26 143.82 36.62 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.627 0.727 . . . . 0.0 110.944 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 118.42 5.67 Favored 'Trans proline' 0 N--CA 1.466 -0.11 0 C-N-CA 122.75 2.3 . . . . 0.0 112.332 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -116.83 175.71 15.86 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.529 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.87 -62.5 1.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.822 0.344 . . . . 0.0 111.114 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.2 mt -51.99 -44.07 63.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.45 -75.55 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.444 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -170.91 148.01 2.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.668 0.27 . . . . 0.0 111.179 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -135.95 150.44 49.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.423 HD11 ' HA ' ' A' ' 127' ' ' GLN . 2.8 pt -104.3 177.12 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.502 HD22 HD23 ' A' ' 26' ' ' LEU . 18.8 tp -109.28 145.84 35.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.413 ' CD1' ' CD1' ' A' ' 53' ' ' PHE . 10.2 tp -143.0 126.69 16.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.445 HG11 ' CE2' ' A' ' 76' ' ' TRP . 29.2 m -110.8 139.72 33.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.543 ' HB3' ' CE3' ' A' ' 51' ' ' TRP . 8.1 pt20 -92.1 161.74 14.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.963 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.1 mtt180 -102.4 155.86 35.98 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.6 0.714 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 132.28 22.99 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.715 2.276 . . . . 0.0 112.329 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -39.26 108.39 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.937 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.822 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 9.2 t -157.39 171.19 20.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -82.95 -165.56 37.75 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.0 mt 62.41 31.29 17.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.858 0.361 . . . . 0.0 110.908 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 14.2 tp 72.29 54.73 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.822 ' HB3' ' O ' ' A' ' 44' ' ' SER . . . -105.16 178.59 4.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.123 179.725 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.504 ' C ' HD22 ' A' ' 50' ' ' LEU . . . 78.38 20.88 71.12 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.497 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.504 HD22 ' C ' ' A' ' 49' ' ' GLY . 1.5 mm? -107.0 156.35 18.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.834 0.35 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.543 ' CE3' ' HB3' ' A' ' 40' ' ' GLN . 90.2 m95 -90.29 134.26 34.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.826 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.408 ' HA ' HD11 ' A' ' 38' ' ' LEU . 8.0 pt-20 -160.62 169.59 22.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.413 ' CD1' ' CD1' ' A' ' 38' ' ' LEU . 18.2 m-85 -69.42 146.62 96.53 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.63 0.729 . . . . 0.0 110.917 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 142.3 47.35 Favored 'Trans proline' 0 C--N 1.34 0.115 0 C-N-CA 122.66 2.24 . . . . 0.0 112.299 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 45.8 p -146.64 165.7 28.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.3 m -128.43 171.99 15.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.9 t -53.72 158.75 1.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.115 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 79.3 t90 -78.08 146.08 35.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 38.7 mp0 -122.38 136.08 26.16 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.669 0.747 . . . . 0.0 110.915 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -21.21 33.58 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.667 2.244 . . . . 0.0 112.298 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 t -99.68 165.83 11.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.827 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -88.03 -20.34 25.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.955 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.6 tp60 -91.47 -42.72 10.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.3 mp -61.44 -34.96 76.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.437 ' OE1' ' CB ' ' A' ' 22' ' ' ALA . 4.3 tp-100 -55.81 -48.87 74.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.449 ' HB3' ' CD2' ' A' ' 85' ' ' LEU . 19.0 mtp180 -74.3 -43.7 55.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.6 mttm -52.37 -43.29 64.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -81.82 -40.19 22.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.188 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.693 HD21 ' HB2' ' A' ' 24' ' ' CYS . 21.8 tp -51.15 -42.32 60.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 72' ' ' GLU . 84.0 mt -71.94 -50.61 27.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.437 ' HG3' ' N ' ' A' ' 72' ' ' GLU . 1.5 pp0? -35.5 -31.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.964 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 70' ' ' LEU . 6.5 tp10 -82.96 -54.79 4.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.486 HD12 HD23 ' A' ' 70' ' ' LEU . 16.8 mt -42.89 -50.88 5.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -51.81 -46.55 64.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 25.8 mtm180 -47.66 -30.16 3.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.445 ' CE2' HG11 ' A' ' 39' ' ' VAL . 72.2 m95 -90.24 -74.68 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.422 ' HA ' HG21 ' A' ' 115' ' ' VAL . . . -73.66 -72.78 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 152.94 -103.29 0.24 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.593 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.656 ' O ' HD22 ' A' ' 80' ' ' LEU . 53.6 Cg_endo -69.78 116.67 4.67 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.704 2.269 . . . . 0.0 112.295 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.656 HD22 ' O ' ' A' ' 79' ' ' PRO . 4.3 mm? -129.69 133.73 25.39 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.633 0.73 . . . . 0.0 110.875 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.675 ' HG2' HD21 ' A' ' 107' ' ' LEU . 54.0 Cg_endo -69.75 -174.14 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.656 2.237 . . . . 0.0 112.344 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -130.07 -52.81 1.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.097 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 27.9 m -61.77 -37.45 84.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.178 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -55.63 -49.08 73.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.449 ' CD2' ' HB3' ' A' ' 66' ' ' ARG . 6.0 tp -49.2 122.44 6.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -134.2 154.95 50.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.789 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 -90.68 121.7 32.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 35.9 mt -122.29 90.96 3.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 59.41 -167.26 8.09 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.504 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -148.69 168.71 22.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.859 0.361 . . . . 0.0 110.899 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.441 HG23 ' CG2' ' A' ' 104' ' ' VAL . 40.8 t -137.64 106.53 4.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.073 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.517 HG22 ' HA ' ' A' ' 101' ' ' THR . 25.6 t -115.98 110.42 31.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.099 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -98.11 106.87 19.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.817 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.554 HG23 ' HZ2' ' A' ' 99' ' ' LYS . 31.1 m -82.72 114.96 21.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.478 ' N ' ' O ' ' A' ' 98' ' ' ILE . 35.7 m-85 -86.81 167.73 14.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.79 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 24.0 t -40.22 -66.35 0.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.84 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -115.28 3.24 14.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.888 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.529 ' CG2' ' N ' ' A' ' 99' ' ' LYS . 22.8 mt -121.2 160.58 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.554 ' HZ2' HG23 ' A' ' 94' ' ' THR . 0.0 OUTLIER -139.59 128.47 23.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.868 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.446 ' O ' HG13 ' A' ' 92' ' ' VAL . 3.2 mm? -113.63 144.65 42.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.517 ' HA ' HG22 ' A' ' 92' ' ' VAL . 29.5 m -128.54 106.58 9.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.097 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -110.05 130.08 55.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -95.46 111.48 23.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.604 HG11 HG12 ' A' ' 145' ' ' VAL . 60.9 t -70.28 125.46 28.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -139.46 135.9 34.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -112.13 136.51 13.57 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.527 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.675 HD21 ' HG2' ' A' ' 81' ' ' PRO . 1.6 tm? -147.79 113.88 5.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.812 0.339 . . . . 0.0 110.993 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.548 ' N ' HD13 ' A' ' 107' ' ' LEU . . . -130.68 144.26 51.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.06 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 43.8 mt -84.91 109.74 18.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -76.2 -57.01 4.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -130.84 -10.45 2.56 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.517 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -50.83 174.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.932 0.396 . . . . 0.0 110.905 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 19.9 p -78.59 142.83 62.34 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 121.589 0.709 . . . . 0.0 111.119 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 175.02 8.69 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.676 2.251 . . . . 0.0 112.312 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.569 HG22 ' H ' ' A' ' 117' ' ' THR . 2.8 p -106.68 -43.5 7.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.11 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 115' ' ' VAL . 14.9 p 35.49 34.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.196 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.569 ' H ' HG22 ' A' ' 115' ' ' VAL . 90.3 m -165.98 120.02 1.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.182 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.601 ' CG2' ' HB3' ' A' ' 122' ' ' ALA . 8.3 p -130.56 137.53 31.01 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.596 0.712 . . . . 0.0 111.172 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.558 ' HD2' HG23 ' A' ' 118' ' ' VAL . 53.8 Cg_endo -69.87 164.38 34.85 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.651 2.234 . . . . 0.0 112.317 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 102.8 1.06 Allowed 'Trans proline' 0 C--O 1.23 0.125 0 C-N-CA 122.697 2.264 . . . . 0.0 112.354 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 142.26 -16.67 2.52 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.476 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.601 ' HB3' ' CG2' ' A' ' 118' ' ' VAL . . . -106.58 165.36 11.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.759 0.314 . . . . 0.0 111.105 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.557 ' NE ' HD23 ' A' ' 125' ' ' LEU . 6.5 ttt180 -140.37 141.04 35.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.86 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' TRP . . . . . 0.493 ' NE1' HD13 ' A' ' 37' ' ' LEU . 35.0 m95 -114.2 105.94 13.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.989 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.557 HD23 ' NE ' ' A' ' 123' ' ' ARG . 1.3 pp -126.93 169.74 12.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 16.6 p -85.39 156.52 20.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.147 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.488 ' NE2' ' OE1' ' A' ' 27' ' ' GLU . 16.0 mp0 -44.2 -53.69 6.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.954 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -53.65 -46.88 70.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -56.01 -52.97 62.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.592 ' O ' ' HB3' ' A' ' 133' ' ' ALA . 29.1 t80 -38.69 -57.6 1.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.898 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -40.38 -61.32 0.93 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 22.5 p -58.55 -26.87 64.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.098 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.672 ' O ' HG23 ' A' ' 135' ' ' VAL . . . -63.52 144.84 56.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.082 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.62 98.94 0.4 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.139 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.718 HG12 ' HB2' ' A' ' 139' ' ' MET . 1.1 t -132.01 144.39 37.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 8.6 p -71.9 154.36 41.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.789 HG22 ' HD2' ' A' ' 141' ' ' LYS . 26.6 m -45.33 -60.86 1.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.091 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 137' ' ' THR . . . -37.52 -58.28 0.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.119 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' MET . . . . . 0.718 ' HB2' HG12 ' A' ' 135' ' ' VAL . 36.4 mmm -60.76 -51.54 68.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 11.5 mtpt -55.34 -17.45 4.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.789 ' HD2' HG22 ' A' ' 137' ' ' THR . 44.6 mtpt -90.37 -26.31 19.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.935 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.538 HG13 HG22 ' A' ' 104' ' ' VAL . 96.4 t -69.97 -28.75 37.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.136 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -73.14 -55.01 7.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -55.1 -22.3 15.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.836 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.604 HG12 HG11 ' A' ' 104' ' ' VAL . 25.0 t -88.37 -25.32 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.054 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -79.4 -33.62 42.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -68.81 -58.0 4.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -95.44 93.52 1.6 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.479 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -91.89 121.74 33.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.761 0.315 . . . . 0.0 110.903 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 52.2 m -63.38 171.29 2.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 111.88 -95.95 0.83 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.84 173.36 11.16 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.612 2.208 . . . . 0.0 112.336 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 86.5 p -97.06 108.37 21.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.826 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 95.4 p -49.82 137.36 16.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.796 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.459 179.895 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -137.9 125.78 22.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.86 0.362 . . . . 0.0 110.792 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.3 p -98.82 88.04 3.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.831 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.21 73.36 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.448 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.6 t -82.23 85.11 6.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.891 0.377 . . . . 0.0 110.867 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.6 p -137.3 144.16 42.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.884 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.04 158.27 30.21 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.458 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 -48.81 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.644 2.229 . . . . 0.0 112.401 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.9 ptt-85 -162.93 172.32 15.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.843 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.5 tptm -64.2 89.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 12' ' ' SER . . . -163.24 160.35 23.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 11' ' ' ALA . 11.1 t -36.25 128.33 0.74 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.84 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 -38.98 103.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.937 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.9 mmtt -133.62 151.48 77.26 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.563 0.697 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 150.86 68.76 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.602 2.201 . . . . 0.0 112.361 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -40.91 4.78 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.647 2.232 . . . . 0.0 112.362 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.7 mtm180 -40.51 -51.66 2.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -91.36 100.24 13.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.956 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -148.66 113.57 5.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.4 m -120.51 144.51 48.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.7 m -157.12 151.63 25.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.812 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -115.37 114.46 25.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.132 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.453 HG21 HG21 ' A' ' 142' ' ' VAL . 2.6 t -107.32 145.45 32.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.094 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.458 ' HB2' HD21 ' A' ' 69' ' ' LEU . 6.2 t -129.71 158.61 38.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.444 ' N ' ' SG ' ' A' ' 24' ' ' CYS . 68.9 t -108.43 117.27 53.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.137 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 29.5 tp -100.83 126.29 47.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.924 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -131.73 159.28 38.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.829 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.451 ' HG2' ' CZ3' ' A' ' 124' ' ' TRP . 6.2 pt20 -151.66 150.21 25.87 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.635 0.731 . . . . 0.0 110.912 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 125.77 12.53 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.71 2.273 . . . . 0.0 112.376 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -120.08 -177.66 16.12 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.82 -61.07 2.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.339 . . . . 0.0 111.082 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.8 mt -62.72 -40.68 97.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.41 -81.13 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -167.41 141.05 3.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.807 0.337 . . . . 0.0 111.052 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.26 163.39 24.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.4 pt -113.12 174.68 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.423 HD11 ' HB1' ' A' ' 122' ' ' ALA . 11.2 tp -105.73 150.32 25.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.661 HD22 HD21 ' A' ' 125' ' ' LEU . 11.3 tp -141.75 133.87 27.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.975 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.3 m -115.62 139.16 43.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.517 ' HB2' ' CD2' ' A' ' 51' ' ' TRP . 7.4 tt0 -113.92 121.85 45.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.55 149.68 87.91 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.647 0.737 . . . . 0.0 110.832 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -48.39 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.695 2.263 . . . . 0.0 112.366 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.626 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.0 m-80 -169.91 106.9 0.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.0 m -127.79 104.52 7.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.879 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 42.49 -155.64 0.12 Allowed Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.494 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.3 mt -44.62 -64.46 0.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.762 0.315 . . . . 0.0 110.878 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.0 mt -72.18 91.75 1.31 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.626 ' HB1' ' HA ' ' A' ' 43' ' ' ASN . . . -120.0 147.96 44.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.88 34.76 62.04 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.572 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -103.93 141.79 35.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.864 0.364 . . . . 0.0 110.931 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.552 ' CZ3' ' HD2' ' A' ' 123' ' ' ARG . 85.3 m95 -85.42 132.94 34.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.429 ' CB ' ' HG3' ' A' ' 139' ' ' MET . 3.0 pt-20 -163.14 161.52 25.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.673 ' CZ ' ' CE1' ' A' ' 130' ' ' PHE . 16.7 m-85 -61.93 144.19 93.94 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.669 0.747 . . . . 0.0 110.888 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 143.89 52.34 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.716 2.277 . . . . 0.0 112.342 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.6 p -145.19 164.21 32.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.449 HG12 ' HB2' ' A' ' 72' ' ' GLU . 15.0 m -124.97 -178.61 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.134 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.2 p -69.8 126.38 29.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.442 ' CH2' ' HA ' ' A' ' 60' ' ' PRO . 88.4 t90 -44.7 158.42 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.966 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -140.76 136.53 16.42 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.599 0.714 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.442 ' HA ' ' CH2' ' A' ' 58' ' ' TRP . 54.1 Cg_endo -69.67 -22.39 32.56 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.738 2.292 . . . . 0.0 112.334 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.412 ' CB ' HD22 ' A' ' 64' ' ' LEU . 6.2 t -101.54 146.71 27.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.793 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -69.04 -19.21 64.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -89.83 -51.66 5.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.412 HD22 ' CB ' ' A' ' 61' ' ' SER . 0.7 OUTLIER -48.2 -39.67 21.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.973 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.419 ' O ' ' CB ' ' A' ' 69' ' ' LEU . 8.1 tp60 -57.11 -61.81 2.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 47.2 mtp180 -59.31 -39.03 81.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp -54.88 -70.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.48 -37.93 87.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.131 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.536 HD23 HD21 ' A' ' 85' ' ' LEU . 19.9 tp -46.38 -43.45 16.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.609 HD22 ' HB3' ' A' ' 80' ' ' LEU . 81.9 mt -74.16 -44.88 51.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -40.8 -44.84 2.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.449 ' HB2' HG12 ' A' ' 56' ' ' VAL . 1.7 tp10 -69.67 -53.27 19.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 27.0 mt -46.13 -47.33 17.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -53.96 -40.89 67.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.946 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 23.4 mtt-85 -53.12 -29.82 33.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 66.2 m95 -91.62 -72.45 0.59 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.603 ' HB1' HG21 ' A' ' 115' ' ' VAL . . . -75.27 -70.87 0.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.068 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 147.55 -98.77 0.19 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.488 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.65 109.46 2.3 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.686 2.258 . . . . 0.0 112.373 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.609 ' HB3' HD22 ' A' ' 70' ' ' LEU . 4.4 mm? -120.99 121.88 28.59 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.608 0.718 . . . . 0.0 110.934 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.769 ' HG2' HD21 ' A' ' 107' ' ' LEU . 53.4 Cg_endo -69.75 170.44 16.56 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.738 2.292 . . . . 0.0 112.339 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -115.62 -40.66 3.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.126 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 73.1 p -71.49 -33.22 69.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.122 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 21.1 m170 -65.85 -29.95 70.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.536 HD21 HD23 ' A' ' 69' ' ' LEU . 18.4 tp -65.15 152.71 42.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -171.24 146.23 2.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.923 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.43 ' NE2' ' O ' ' A' ' 89' ' ' GLY . 15.7 t-80 -86.8 119.95 27.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.463 HD12 ' HD1' ' A' ' 146' ' ' TYR . 23.0 mt -118.31 90.21 3.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.927 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.43 ' O ' ' NE2' ' A' ' 87' ' ' HIS . . . 66.0 -164.57 39.62 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.482 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -152.34 170.81 19.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.899 0.38 . . . . 0.0 110.909 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.463 ' CG1' ' HE3' ' A' ' 141' ' ' LYS . 71.0 t -142.89 108.05 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.13 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.623 HG13 ' O ' ' A' ' 100' ' ' LEU . 55.8 t -118.63 112.05 36.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -105.1 145.62 30.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 63.5 m -113.46 112.53 23.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -99.89 -175.96 3.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.495 ' O ' ' CG ' ' A' ' 97' ' ' HIS . 4.2 m -46.49 107.22 0.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.495 ' CG ' ' O ' ' A' ' 96' ' ' SER . 24.0 p-80 45.1 31.73 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 61.3 mt -137.45 150.26 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.1 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 43.8 tttt -136.58 117.94 14.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.623 ' O ' HG13 ' A' ' 92' ' ' VAL . 3.4 mm? -104.14 154.62 19.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.485 ' HA ' HG22 ' A' ' 92' ' ' VAL . 17.7 m -133.05 101.24 5.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -107.98 120.19 41.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -89.14 120.08 30.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.449 HG22 HG13 ' A' ' 142' ' ' VAL . 73.1 t -75.86 125.82 35.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.09 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -132.94 140.42 47.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -111.62 142.99 17.24 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.5 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.769 HD21 ' HG2' ' A' ' 81' ' ' PRO . 1.2 tm? -157.01 113.95 3.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.833 0.349 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.599 ' N ' HD13 ' A' ' 107' ' ' LEU . . . -134.44 146.76 50.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 86.9 mt -87.66 108.56 19.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -45.87 -34.14 3.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 134.49 47.83 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.518 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.552 ' O ' HG23 ' A' ' 113' ' ' THR . 65.7 mm-40 -93.74 -56.16 2.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.864 0.364 . . . . 0.0 110.963 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.552 HG23 ' O ' ' A' ' 112' ' ' GLN . 19.0 p -159.87 143.13 10.33 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.624 0.726 . . . . 0.0 111.095 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -174.78 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.642 2.228 . . . . 0.0 112.378 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.603 HG21 ' HB1' ' A' ' 77' ' ' ALA . 6.6 p -113.47 -37.92 2.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.979 0.418 . . . . 0.0 111.129 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 115' ' ' VAL . 16.5 p 37.38 34.77 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.149 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 57.4 m -145.64 119.13 9.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.122 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.484 ' O ' HG13 ' A' ' 118' ' ' VAL . 4.3 p -159.99 124.97 2.18 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.656 0.741 . . . . 0.0 111.095 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 169.69 18.38 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.675 2.25 . . . . 0.0 112.38 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 0.37 5.67 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.624 2.216 . . . . 0.0 112.414 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -105.05 2.65 40.88 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.464 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.423 ' HB1' HD11 ' A' ' 37' ' ' LEU . . . -132.49 159.95 37.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 0.0 111.089 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.552 ' HD2' ' CZ3' ' A' ' 51' ' ' TRP . 8.8 ptm180 -143.12 137.9 29.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' TRP . . . . . 0.451 ' CZ3' ' HG2' ' A' ' 28' ' ' GLN . 42.9 m95 -97.03 101.17 12.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.661 HD21 HD22 ' A' ' 38' ' ' LEU . 1.7 pp -116.67 167.29 11.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.91 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 6.8 p -83.61 175.2 9.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.093 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -61.99 -44.85 95.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -65.28 -42.15 93.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.02 -35.92 74.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.673 ' CE1' ' CZ ' ' A' ' 53' ' ' PHE . 34.0 t80 -60.63 -50.58 72.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.876 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -52.37 -51.11 60.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.796 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 64.5 p -68.23 -29.05 67.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.167 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -57.48 -178.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -100.01 94.27 6.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.074 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.794 HG12 ' HB2' ' A' ' 139' ' ' MET . 1.0 OUTLIER -124.95 145.51 32.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.1 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 137' ' ' THR . 13.4 m -71.65 144.11 49.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.837 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 136' ' ' SER . 87.1 m -33.9 -65.08 0.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.044 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.429 ' HA ' ' CE ' ' A' ' 141' ' ' LYS . . . -42.04 -68.01 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.075 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' MET . . . . . 0.794 ' HB2' HG12 ' A' ' 135' ' ' VAL . 48.7 mmm -39.82 -55.21 2.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -50.25 -37.86 37.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.463 ' HE3' ' CG1' ' A' ' 91' ' ' VAL . 41.9 mtmt -65.62 -33.84 76.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.95 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.453 HG21 HG21 ' A' ' 23' ' ' THR . 54.1 t -62.2 -22.86 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -80.09 -61.54 1.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.961 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -48.42 -35.66 13.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.947 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.421 HG12 HG11 ' A' ' 104' ' ' VAL . 38.4 t -71.23 -32.42 47.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.14 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 146' ' ' TYR . . . . . 0.463 ' HD1' HD12 ' A' ' 88' ' ' LEU . 1.6 t80 -66.2 -45.74 79.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -42.69 -63.14 0.83 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.935 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -86.21 97.78 2.25 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.441 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -46.94 -45.26 20.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.748 0.309 . . . . 0.0 110.834 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 51.4 m -96.67 142.58 28.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.811 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.428 ' N ' ' HD2' ' A' ' 152' ' ' PRO . . . -58.7 -62.33 6.37 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.507 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 152' ' ' PRO . . . . . 0.428 ' HD2' ' N ' ' A' ' 151' ' ' GLY . 53.4 Cg_endo -69.83 176.14 7.22 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.653 2.236 . . . . 0.0 112.336 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 11.2 t -135.36 123.73 23.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 8.9 t -60.19 -56.57 19.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.878 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.527 179.945 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.5 t 54.26 41.47 31.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.809 0.337 . . . . 0.0 110.8 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.9 p -99.83 42.1 1.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.61 41.46 2.01 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.45 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.0 m 55.89 44.72 25.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.89 0.376 . . . . 0.0 110.789 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.1 t -111.68 -41.16 4.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.64 -163.91 46.55 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.484 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 9' ' ' ARG . 53.5 Cg_endo -69.83 -0.11 6.5 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.61 2.206 . . . . 0.0 112.357 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 8' ' ' PRO . 49.3 mtt180 -34.83 -57.58 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -138.32 119.8 14.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.14 98.63 0.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.098 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.0 t -97.99 -38.12 9.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -112.66 -58.2 2.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.848 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.8 mmtm -118.77 145.08 36.9 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.593 0.711 . . . . 0.0 110.943 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 169.54 18.67 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.637 2.224 . . . . 0.0 112.402 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.3 Cg_endo -69.81 -25.08 28.75 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.665 2.243 . . . . 0.0 112.281 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 16' ' ' PRO . 36.5 mtp180 -35.06 -47.75 0.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -100.89 100.22 10.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.925 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -138.41 113.49 9.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.831 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.43 ' C ' ' HB2' ' A' ' 58' ' ' TRP . 25.2 m -117.13 139.44 50.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.849 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.2 m -154.8 152.08 29.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -119.74 112.2 18.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.096 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.508 HG23 HG11 ' A' ' 142' ' ' VAL . 5.8 t -104.2 146.52 28.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.453 ' HB2' HD11 ' A' ' 69' ' ' LEU . 53.2 t -123.0 160.29 26.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 67.0 t -114.97 103.48 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.146 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.428 HD13 HD11 ' A' ' 80' ' ' LEU . 41.4 tp -89.26 122.01 32.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.817 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -124.32 152.9 42.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.451 ' HG2' HD12 ' A' ' 109' ' ' LEU . 24.0 mt-30 -149.81 145.67 19.33 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.554 0.692 . . . . 0.0 110.903 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 131.34 21.01 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.67 2.247 . . . . 0.0 112.292 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -125.27 -168.86 12.82 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.522 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.48 -47.87 79.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.835 0.35 . . . . 0.0 111.119 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.4 mt -69.07 -42.89 75.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.32 -55.76 0.18 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.518 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -157.47 169.13 25.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.779 0.323 . . . . 0.0 111.061 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -162.3 129.63 3.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.937 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.505 HD11 ' HB2' ' A' ' 130' ' ' PHE . 4.4 pt -96.54 174.24 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.3 tp -108.66 145.62 34.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.583 HD22 HD21 ' A' ' 125' ' ' LEU . 8.8 tp -143.12 127.32 17.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.538 HG12 ' HB2' ' A' ' 122' ' ' ALA . 18.2 m -104.61 159.49 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.093 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -102.56 155.76 18.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.6 mtp85 -90.24 149.29 41.0 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.566 0.698 . . . . 0.0 110.871 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -172.76 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.658 2.239 . . . . 0.0 112.364 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -73.07 88.35 1.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.6 p -107.12 -179.07 3.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.956 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -104.19 -39.56 2.43 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.513 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.48 ' C ' HD12 ' A' ' 47' ' ' LEU . 12.5 mt -71.19 -69.71 0.36 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.788 0.328 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.48 HD12 ' C ' ' A' ' 46' ' ' LEU . 7.8 mp -124.18 90.88 3.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -103.74 139.85 38.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.038 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.87 30.59 55.68 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.489 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -105.65 145.43 31.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.847 0.356 . . . . 0.0 110.94 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.525 ' HB3' HD23 ' A' ' 38' ' ' LEU . 84.9 m95 -103.32 125.94 50.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.439 ' N ' ' CD ' ' A' ' 52' ' ' GLU . 1.1 pm0 -152.15 165.48 34.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.924 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.778 ' CZ ' ' CE1' ' A' ' 130' ' ' PHE . 12.8 m-85 -64.88 146.79 98.66 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.71 0.767 . . . . 0.0 110.843 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 143.22 50.14 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.692 2.262 . . . . 0.0 112.403 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.6 p -145.37 174.28 11.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.4 HG12 ' CB ' ' A' ' 72' ' ' GLU . 5.3 m -133.54 -176.32 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.4 p -70.94 125.41 26.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.185 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.43 ' HB2' ' C ' ' A' ' 20' ' ' SER . 79.8 t90 -44.09 158.71 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -138.86 134.43 17.04 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.644 0.735 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.89 -20.53 34.08 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.742 2.295 . . . . 0.0 112.34 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.3 t -97.1 161.37 13.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -79.48 -28.54 41.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 27.8 tp60 -85.55 -60.65 1.97 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.3 mp -37.51 -41.84 0.48 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -54.94 -51.37 66.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.96 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 38.4 mtt180 -68.72 -46.26 69.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.7 mtmt -50.05 -62.66 1.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.46 -43.31 94.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.137 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.453 HD11 ' HB2' ' A' ' 24' ' ' CYS . 9.6 tp -42.83 -48.24 5.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.973 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.579 HD23 HD12 ' A' ' 73' ' ' LEU . 86.7 mt -72.22 -46.87 54.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 70' ' ' LEU . 23.0 mt-30 -36.99 -35.97 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.4 ' CB ' HG12 ' A' ' 56' ' ' VAL . 3.7 tp10 -81.97 -53.8 5.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.579 HD12 HD23 ' A' ' 70' ' ' LEU . 22.4 mt -41.97 -48.94 4.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -53.32 -39.23 63.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -55.53 -29.51 59.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.799 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.601 ' CE3' ' HB2' ' A' ' 122' ' ' ALA . 77.4 m95 -89.93 -70.34 0.67 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.756 ' HB1' HG21 ' A' ' 115' ' ' VAL . . . -79.12 -72.26 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.081 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 149.81 -100.48 0.21 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 108.37 2.08 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.712 2.275 . . . . 0.0 112.307 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.428 HD11 HD13 ' A' ' 26' ' ' LEU . 4.4 mm? -120.56 135.27 24.49 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.544 0.688 . . . . 0.0 110.959 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.865 ' HG2' HD21 ' A' ' 107' ' ' LEU . 53.4 Cg_endo -69.84 -175.66 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.633 2.222 . . . . 0.0 112.347 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -128.22 -73.67 0.59 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.1 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -50.42 -38.06 41.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.166 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -51.22 -44.71 61.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.529 ' CA ' HD23 ' A' ' 107' ' ' LEU . 16.8 tp -55.41 154.93 5.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.965 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.465 ' N ' ' HG ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -170.85 155.13 4.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.885 179.899 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -87.85 123.72 32.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.426 HD21 ' HD3' ' A' ' 86' ' ' ARG . 3.9 mt -128.36 93.07 3.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 65.77 -175.88 16.59 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.461 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.86 171.09 15.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.946 0.403 . . . . 0.0 110.846 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 38.3 t -140.72 109.06 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.48 ' CG1' ' HD3' ' A' ' 99' ' ' LYS . 53.5 t -120.23 114.25 43.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 39.0 t60 -102.76 145.35 29.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -110.76 105.0 13.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -79.75 -179.02 6.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 46.8 t -45.41 -63.72 0.89 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -130.32 24.09 5.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.864 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 35.9 mt -136.37 143.75 34.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.48 ' HD3' ' CG1' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -120.59 108.28 13.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 179.854 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -91.24 149.69 21.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.985 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 57.0 m -132.49 105.58 7.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.132 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -109.74 128.88 55.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.954 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 -95.49 119.66 34.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.718 HG22 HG13 ' A' ' 142' ' ' VAL . 57.4 t -74.01 127.42 35.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -136.99 127.32 26.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -106.58 137.17 13.75 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.378 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.865 HD21 ' HG2' ' A' ' 81' ' ' PRO . 1.7 tm? -155.59 108.72 2.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.79 0.328 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.465 ' N ' HD13 ' A' ' 107' ' ' LEU . . . -127.96 147.6 50.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.101 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.451 HD12 ' HG2' ' A' ' 28' ' ' GLN . 94.0 mt -88.59 108.41 19.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -46.62 -29.16 1.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 135.2 65.08 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.494 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -108.01 -72.91 0.7 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.85 0.357 . . . . 0.0 110.966 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.1 p -140.12 142.16 29.23 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.601 0.715 . . . . 0.0 111.13 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -177.76 2.05 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.651 2.234 . . . . 0.0 112.337 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.756 HG21 ' HB1' ' A' ' 77' ' ' ALA . 7.7 p -114.43 -40.95 3.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 115' ' ' VAL . 11.3 p 33.71 42.13 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.216 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 22.9 m -157.82 124.38 4.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.074 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.479 ' CG2' ' HB3' ' A' ' 122' ' ' ALA . 9.7 p -168.0 136.17 1.9 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.576 0.703 . . . . 0.0 111.161 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 118' ' ' VAL . 54.1 Cg_endo -69.72 167.42 24.43 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.66 2.24 . . . . 0.0 112.383 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 -0.8 7.41 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.731 2.288 . . . . 0.0 112.386 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -101.4 4.28 54.54 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.498 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.601 ' HB2' ' CE3' ' A' ' 76' ' ' TRP . . . -134.52 165.96 24.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.803 0.335 . . . . 0.0 111.11 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -149.31 149.24 30.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 33.0 m95 -107.22 105.23 15.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.94 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.583 HD21 HD22 ' A' ' 38' ' ' LEU . 1.6 pp -120.92 169.82 10.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.943 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 6.0 p -88.07 173.2 9.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.144 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -58.9 -45.81 89.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.977 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -64.59 -33.36 75.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -73.34 -32.99 64.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.778 ' CE1' ' CZ ' ' A' ' 53' ' ' PHE . 9.3 t80 -61.8 -46.0 91.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -61.11 -40.89 95.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 80.4 p -72.29 -24.59 61.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.203 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -66.3 169.7 6.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.018 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -87.91 97.56 11.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.738 HG12 ' HB2' ' A' ' 139' ' ' MET . 1.0 OUTLIER -127.61 144.96 35.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.103 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 137' ' ' THR . 77.4 p -78.43 143.74 36.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.802 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.534 HG22 ' HD2' ' A' ' 141' ' ' LYS . 4.0 m -34.99 -62.19 0.38 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.143 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 137' ' ' THR . . . -35.32 -57.89 0.58 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.129 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' MET . . . . . 0.738 ' HB2' HG12 ' A' ' 135' ' ' VAL . 22.9 mmm -65.09 -47.43 77.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -54.89 -18.86 5.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.534 ' HD2' HG22 ' A' ' 137' ' ' THR . 7.8 mtpm? -89.37 -23.02 22.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.718 HG13 HG22 ' A' ' 104' ' ' VAL . 63.7 t -76.93 -13.14 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.152 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -84.41 -51.11 7.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 28.7 ptt85 -62.7 -23.64 67.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.867 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.472 HG11 HG21 ' A' ' 104' ' ' VAL . 55.8 t -79.54 -21.24 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.088 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -83.97 -39.02 20.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -54.63 -43.52 72.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.926 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -56.25 -85.03 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.509 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 41.65 41.76 1.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.771 0.32 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 11.6 t -142.91 143.31 31.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -110.97 146.33 17.62 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.497 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -3.8 12.77 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.687 2.258 . . . . 0.0 112.36 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 35.8 t -40.2 152.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.806 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 26.3 t -111.13 -44.45 3.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.546 179.95 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.4 p -166.51 153.8 9.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.824 0.345 . . . . 0.0 110.859 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 p -118.81 56.74 0.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.837 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.93 158.61 9.61 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.525 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.8 t -90.05 138.09 31.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.862 0.363 . . . . 0.0 110.891 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.5 p -167.15 134.28 2.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.69 144.08 11.57 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.481 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.498 ' O ' ' CG ' ' A' ' 9' ' ' ARG . 53.6 Cg_endo -69.77 4.08 2.4 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.672 2.248 . . . . 0.0 112.379 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.498 ' CG ' ' O ' ' A' ' 8' ' ' PRO . 4.0 ptm180 50.12 30.1 4.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.3 tptp -134.47 156.21 48.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.58 59.76 3.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.054 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.9 t -172.41 176.91 3.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.826 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.1 mtp180 -108.2 87.89 2.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -148.1 152.38 39.67 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.604 0.716 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.91 149.46 65.99 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.669 2.246 . . . . 0.0 112.276 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 17' ' ' ARG . 54.2 Cg_endo -69.67 -31.08 21.64 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.74 2.293 . . . . 0.0 112.341 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.439 ' CD ' ' O ' ' A' ' 97' ' ' HIS . 6.4 mmm180 -36.4 -68.99 0.12 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -76.74 100.2 5.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -146.19 113.49 6.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 75.7 m -127.37 147.07 50.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 72.3 m -154.89 162.25 41.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.525 ' CB ' ' CD ' ' A' ' 65' ' ' GLN . . . -124.43 113.1 17.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.04 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.543 ' CG2' HG11 ' A' ' 142' ' ' VAL . 15.1 t -104.47 152.98 21.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.091 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.743 ' HB2' HD21 ' A' ' 69' ' ' LEU . 1.1 t -133.92 145.45 49.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 78.7 t -100.5 113.8 37.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.169 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.2 tp -100.78 124.27 46.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.468 ' HB2' HG22 ' A' ' 36' ' ' ILE . 44.7 tt0 -130.19 155.62 45.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -144.44 147.65 37.45 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.546 0.689 . . . . 0.0 110.932 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 120.21 7.03 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.633 2.222 . . . . 0.0 112.355 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -111.24 150.9 17.88 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.467 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -38.45 -56.89 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.762 0.315 . . . . 0.0 111.091 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 32.1 mt -63.05 -48.19 79.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.62 -83.15 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.483 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -168.13 158.99 10.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.792 0.329 . . . . 0.0 111.119 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 -152.9 156.67 39.38 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.468 HG22 ' HB2' ' A' ' 27' ' ' GLU . 7.5 pt -109.27 173.57 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.173 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.502 HD13 ' NE1' ' A' ' 124' ' ' TRP . 6.9 tp -106.49 148.66 27.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.96 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.598 HD12 ' CD1' ' A' ' 53' ' ' PHE . 9.1 tp -146.22 131.42 18.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.688 HG11 ' CE2' ' A' ' 76' ' ' TRP . 34.1 m -111.88 155.03 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.052 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.401 ' HB2' ' CE3' ' A' ' 51' ' ' TRP . 32.1 tt0 -107.96 125.4 51.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -63.78 137.77 97.19 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.602 0.715 . . . . 0.0 110.85 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -16.28 37.6 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.68 2.254 . . . . 0.0 112.425 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.528 ' CB ' ' HB1' ' A' ' 48' ' ' ALA . 15.7 m120 -44.66 168.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.8 t -161.4 118.52 2.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 162.42 -145.41 10.67 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.474 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.5 mt -53.41 -65.7 0.52 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.905 0.383 . . . . 0.0 110.947 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.9 tt -117.34 70.18 0.78 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.528 ' HB1' ' CB ' ' A' ' 43' ' ' ASN . . . -140.27 171.81 13.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.161 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.06 18.72 73.14 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.51 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.429 ' CD2' ' O ' ' A' ' 48' ' ' ALA . 3.2 mm? -90.61 144.82 25.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.833 0.349 . . . . 0.0 110.864 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.512 ' HB3' HD23 ' A' ' 38' ' ' LEU . 87.4 m95 -76.25 142.52 41.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.904 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -170.96 160.88 6.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.598 ' CD1' HD12 ' A' ' 38' ' ' LEU . 14.8 m-85 -64.37 147.62 97.0 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.658 0.742 . . . . 0.0 110.891 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 142.55 48.39 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.713 2.276 . . . . 0.0 112.415 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 84.4 p -146.49 168.86 20.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.849 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.438 HG12 ' HB2' ' A' ' 72' ' ' GLU . 4.7 m -128.94 171.06 17.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.19 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.8 t -54.13 152.82 5.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 87.6 t90 -70.23 142.45 52.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -130.48 132.15 23.81 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.66 0.743 . . . . 0.0 110.947 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -25.34 28.53 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.66 2.24 . . . . 0.0 112.315 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.1 t -93.1 129.65 39.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.869 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -54.26 -26.99 32.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -83.32 -61.37 1.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.5 mp -41.56 -39.2 1.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.525 ' CD ' ' CB ' ' A' ' 22' ' ' ALA . 2.9 tp-100 -59.71 -57.31 13.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 70.4 mtm180 -60.03 -40.76 90.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.2 mtpt -51.17 -51.56 52.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 70' ' ' LEU . . . -73.62 -51.96 15.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.832 HD23 HD21 ' A' ' 85' ' ' LEU . 65.8 tp -34.28 -35.2 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 68' ' ' ALA . 91.8 mt -87.81 -45.3 10.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.964 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 68' ' ' ALA . 5.9 pt20 -46.33 -23.04 0.3 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.438 ' HB2' HG12 ' A' ' 56' ' ' VAL . 2.6 tp10 -92.5 -52.58 4.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.721 HD11 ' SG ' ' A' ' 24' ' ' CYS . 13.8 mt -45.81 -44.49 14.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.969 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -55.39 -38.7 69.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.943 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -51.46 -30.16 18.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.804 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.688 ' CE2' HG11 ' A' ' 39' ' ' VAL . 63.4 m95 -92.36 -71.47 0.64 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.976 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.516 ' HB1' HG21 ' A' ' 115' ' ' VAL . . . -75.15 -73.73 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.082 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 150.46 -100.9 0.21 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.514 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.661 ' O ' HD22 ' A' ' 80' ' ' LEU . 54.4 Cg_endo -69.74 114.17 3.61 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.702 2.268 . . . . 0.0 112.417 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.661 HD22 ' O ' ' A' ' 79' ' ' PRO . 4.4 mm? -128.96 136.19 28.8 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.61 0.719 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.931 ' HG2' HD21 ' A' ' 107' ' ' LEU . 54.0 Cg_endo -69.76 -179.91 3.24 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.776 2.317 . . . . 0.0 112.298 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -125.19 -56.37 1.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 41.4 p -64.12 -40.27 95.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.092 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -49.57 -39.31 34.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.832 HD21 HD23 ' A' ' 69' ' ' LEU . 11.1 tp -54.62 120.39 6.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.1 tpp85 -127.4 142.74 51.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 21.8 t-80 -81.78 124.28 29.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.473 HD22 ' HA ' ' A' ' 149' ' ' GLN . 38.2 mt -128.03 92.17 3.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.935 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 57.63 -175.43 1.88 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.462 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -141.06 170.59 15.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.944 0.402 . . . . 0.0 110.839 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.472 HG21 ' HA ' ' A' ' 142' ' ' VAL . 44.4 t -135.32 119.54 26.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.608 HG22 ' HA ' ' A' ' 101' ' ' THR . 44.8 t -134.19 107.19 9.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -99.24 123.52 43.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 24.5 m -92.41 109.6 20.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -83.64 -175.92 6.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 30.7 t -49.79 -72.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.439 ' O ' ' CD ' ' A' ' 17' ' ' ARG . 13.9 p-80 -118.82 29.03 7.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.855 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.433 HG13 ' C ' ' A' ' 97' ' ' HIS . 23.1 mt -142.53 149.6 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.087 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -132.06 121.45 23.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.511 ' O ' HG13 ' A' ' 92' ' ' VAL . 2.6 mm? -106.59 154.12 21.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.608 ' HA ' HG22 ' A' ' 92' ' ' VAL . 91.8 m -135.01 103.92 5.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.119 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -105.78 136.41 45.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -104.03 114.94 29.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.927 HG22 HG13 ' A' ' 142' ' ' VAL . 85.1 t -72.81 126.38 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -139.52 113.11 8.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -86.0 145.3 20.64 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.469 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.931 HD21 ' HG2' ' A' ' 81' ' ' PRO . 2.3 tm? -156.97 114.95 3.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.788 0.327 . . . . 0.0 110.993 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.478 ' N ' HD13 ' A' ' 107' ' ' LEU . . . -131.43 153.05 50.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.102 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 71.7 mt -95.75 108.3 20.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -48.84 -36.02 15.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 141.72 41.41 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.511 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -80.78 -67.84 0.74 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.841 0.353 . . . . 0.0 110.898 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.2 p -152.5 143.18 15.52 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.568 0.699 . . . . 0.0 111.142 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 170.69 16.03 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.558 2.172 . . . . 0.0 112.358 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.73 HG22 ' H ' ' A' ' 117' ' ' THR . 2.4 p -102.67 -40.15 6.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.16 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 17.1 p 38.87 26.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.73 ' H ' HG22 ' A' ' 115' ' ' VAL . 18.3 m -136.6 125.98 24.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.09 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.569 ' O ' HG13 ' A' ' 118' ' ' VAL . 4.5 p -165.71 119.51 0.91 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.617 0.723 . . . . 0.0 111.165 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 170.1 17.28 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.706 2.271 . . . . 0.0 112.365 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 3.07 2.98 Favored 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.76 2.307 . . . . 0.0 112.309 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -105.41 2.51 39.89 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.513 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.503 ' HB2' ' CE3' ' A' ' 76' ' ' TRP . . . -129.06 168.54 15.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.813 0.34 . . . . 0.0 111.063 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -151.46 134.9 16.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' TRP . . . . . 0.502 ' NE1' HD13 ' A' ' 37' ' ' LEU . 38.0 m95 -102.18 111.01 23.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.455 ' HB2' ' CB ' ' A' ' 129' ' ' GLU . 1.3 pp -125.58 169.26 12.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.88 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 7.3 p -85.55 175.19 8.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.093 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 16.7 mp0 -61.69 -41.56 97.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.966 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -74.84 -24.08 58.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.455 ' CB ' ' HB2' ' A' ' 125' ' ' LEU . 20.5 mt-10 -73.24 -39.53 65.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.598 ' CE2' HG21 ' A' ' 135' ' ' VAL . 3.8 t80 -62.97 -47.86 81.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' HIS . . . . . 0.419 ' CE1' ' CE2' ' A' ' 143' ' ' PHE . 11.1 m-70 -43.46 -62.14 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.812 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 36.3 p -61.75 -29.07 69.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.115 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 130' ' ' PHE . . . -56.75 152.65 11.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.098 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.73 99.9 6.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.615 HG12 ' HB2' ' A' ' 139' ' ' MET . 2.3 t -126.67 147.58 31.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.117 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 137' ' ' THR . 34.5 t -68.77 138.92 55.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.697 HG22 ' HD2' ' A' ' 141' ' ' LYS . 91.4 m -33.95 -65.86 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.136 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 137' ' ' THR . . . -36.75 -69.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' MET . . . . . 0.615 ' HB2' HG12 ' A' ' 135' ' ' VAL . 36.0 mmm -42.59 -59.4 1.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? -43.99 -38.59 3.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.927 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.697 ' HD2' HG22 ' A' ' 137' ' ' THR . 6.4 mtpm? -67.55 -34.0 76.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.888 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.927 HG13 HG22 ' A' ' 104' ' ' VAL . 90.2 t -64.53 -19.74 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.052 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.419 ' CE2' ' CE1' ' A' ' 131' ' ' HIS . 64.8 t80 -81.72 -55.58 4.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -55.6 -17.89 6.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.787 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 40.8 t -87.08 -36.45 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.143 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -68.42 -32.1 71.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.962 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -48.91 -50.5 34.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -94.16 115.62 5.06 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.497 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' GLN . . . . . 0.473 ' HA ' HD22 ' A' ' 88' ' ' LEU . 65.1 mt-30 -83.68 -61.72 1.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.705 0.288 . . . . 0.0 110.87 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 68.9 m -67.24 146.89 53.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.849 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 133.06 -95.03 0.28 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.487 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -18.68 36.87 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.719 2.279 . . . . 0.0 112.351 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 45.7 m -58.74 -54.26 49.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.817 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 20.1 t -128.59 132.67 48.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.819 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.511 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.2 m -161.47 166.94 26.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.86 0.362 . . . . 0.0 110.897 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.7 m -83.7 -60.27 2.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.3 -142.58 33.01 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.535 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 m 49.29 48.68 20.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.853 0.359 . . . . 0.0 110.881 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -173.74 160.14 3.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.845 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.41 ' HA3' ' HD2' ' A' ' 8' ' ' PRO . . . -62.15 -146.71 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.524 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.41 ' HD2' ' HA3' ' A' ' 7' ' ' GLY . 53.6 Cg_endo -69.76 108.9 2.18 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.691 2.261 . . . . 0.0 112.314 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.4 mmm-85 -81.03 162.04 23.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.863 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 11' ' ' ALA . 0.3 OUTLIER -170.51 160.04 7.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 10' ' ' LYS . . . -34.0 -58.1 0.45 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.089 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.3 t -114.01 47.92 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.79 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.6 mtt85 39.56 34.84 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? -55.49 152.63 16.84 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.593 0.711 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 169.77 18.17 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.739 2.293 . . . . 0.0 112.296 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.8 Cg_endo -69.76 -23.21 31.06 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.677 2.251 . . . . 0.0 112.305 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 16' ' ' PRO . 87.8 mtt180 -34.06 -59.5 0.42 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -95.18 100.23 12.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.899 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -140.58 113.54 8.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.838 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.427 ' HB2' ' CB ' ' A' ' 58' ' ' TRP . 7.1 m -120.31 140.04 51.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.897 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 73.8 m -156.93 155.38 31.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.889 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.544 ' CB ' ' CD ' ' A' ' 65' ' ' GLN . . . -116.83 118.0 31.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.063 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.1 t -109.3 150.2 28.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.064 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.423 ' HB2' HD21 ' A' ' 69' ' ' LEU . 42.3 t -135.19 144.67 47.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 93.4 t -95.16 121.92 46.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.161 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.1 tp -104.26 114.5 28.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -120.96 157.29 30.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.567 ' HG2' HD12 ' A' ' 109' ' ' LEU . 38.9 mt-30 -145.92 129.12 8.25 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.639 0.733 . . . . 0.0 110.944 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 116.88 4.77 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.653 2.235 . . . . 0.0 112.351 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 31' ' ' ALA . . . -129.78 164.2 22.6 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.505 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 30' ' ' GLY . . . -36.52 -63.79 0.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.366 . . . . 0.0 111.099 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.1 mt -43.33 -42.33 4.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 153.3 -67.94 0.31 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.526 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.72 146.37 13.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.797 0.332 . . . . 0.0 111.09 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.556 ' HG3' HG22 ' A' ' 126' ' ' THR . 19.0 tt0 -149.68 131.51 15.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.937 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.6 pt -101.57 175.6 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.469 HD13 ' NE1' ' A' ' 124' ' ' TRP . 13.1 tp -106.69 149.04 27.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.556 HD22 HD21 ' A' ' 125' ' ' LEU . 10.6 tp -145.54 124.27 12.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.579 HG11 ' CE2' ' A' ' 76' ' ' TRP . 35.5 m -103.65 150.12 7.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.535 ' HB2' ' CE3' ' A' ' 51' ' ' TRP . 28.0 tt0 -98.95 160.31 14.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.401 ' N ' ' HG2' ' A' ' 40' ' ' GLN . 14.0 mtt-85 -93.94 149.57 37.17 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.611 0.72 . . . . 0.0 110.841 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 166.82 26.42 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.639 2.226 . . . . 0.0 112.361 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.486 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 64.0 t30 -44.92 -57.74 3.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 t -82.83 138.76 33.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 46' ' ' LEU . . . 132.67 128.08 2.87 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.485 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 45' ' ' GLY . 16.3 mt -36.0 131.06 0.59 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.763 0.316 . . . . 0.0 110.943 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.517 ' O ' HD23 ' A' ' 50' ' ' LEU . 76.0 mt 60.47 39.68 18.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 43' ' ' ASN . . . -60.03 143.16 52.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.088 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.562 ' C ' HD22 ' A' ' 50' ' ' LEU . . . 88.95 19.0 53.03 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.459 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.562 HD22 ' C ' ' A' ' 49' ' ' GLY . 3.2 mm? -116.7 142.46 46.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.835 0.35 . . . . 0.0 110.903 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.535 ' CE3' ' HB2' ' A' ' 40' ' ' GLN . 77.1 m95 -90.11 141.02 29.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.973 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -165.8 152.25 9.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.854 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.435 ' CE1' HD13 ' A' ' 38' ' ' LEU . 21.7 m-85 -54.53 146.71 32.75 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.677 0.751 . . . . 0.0 110.857 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.414 ' HG2' HD21 ' A' ' 73' ' ' LEU . 54.2 Cg_endo -69.72 141.77 46.29 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.683 2.255 . . . . 0.0 112.413 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.8 p -146.57 158.03 43.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.85 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.576 HG12 ' HB2' ' A' ' 72' ' ' GLU . 16.9 m -119.18 179.73 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.196 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.2 t -62.6 150.62 40.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.161 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.427 ' CB ' ' HB2' ' A' ' 20' ' ' SER . 89.9 t90 -67.96 147.9 51.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -133.31 133.36 22.77 Favored Pre-proline 0 C--N 1.331 -0.218 0 CA-C-O 121.665 0.745 . . . . 0.0 110.828 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -24.27 29.64 Favored 'Trans proline' 0 N--CA 1.465 -0.198 0 C-N-CA 122.748 2.299 . . . . 0.0 112.316 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.2 t -100.04 128.49 46.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.873 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.74 -38.31 15.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 64' ' ' LEU . 31.0 tt0 -71.03 -66.35 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.961 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 63' ' ' GLN . 5.5 mp -36.04 -41.9 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.544 ' CD ' ' CB ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -58.59 -52.32 66.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.903 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 41.6 mtt180 -65.27 -46.68 79.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.9 mtpt -47.37 -56.63 6.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' A' ' 70' ' ' LEU . . . -72.85 -52.06 16.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.055 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.681 HD23 HD21 ' A' ' 85' ' ' LEU . 17.5 tp -34.59 -32.39 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.541 HD22 ' HB3' ' A' ' 80' ' ' LEU . 90.0 mt -86.97 -42.89 12.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.953 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 68' ' ' ALA . 5.5 pt20 -44.32 -30.6 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.576 ' HB2' HG12 ' A' ' 56' ' ' VAL . 4.1 tp10 -82.33 -55.62 4.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.414 HD21 ' HG2' ' A' ' 54' ' ' PRO . 18.1 mt -46.66 -47.06 20.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -53.02 -35.19 59.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -56.65 -33.62 66.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.579 ' CE2' HG11 ' A' ' 39' ' ' VAL . 67.1 m95 -86.72 -71.63 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.689 ' HB1' HG21 ' A' ' 115' ' ' VAL . . . -74.74 -71.44 0.35 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.125 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 146.93 -100.25 0.22 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.515 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 107.8 1.94 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.726 2.284 . . . . 0.0 112.337 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.541 ' HB3' HD22 ' A' ' 70' ' ' LEU . 4.3 mm? -118.6 139.84 27.55 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.589 0.709 . . . . 0.0 110.918 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.831 ' HG2' HD21 ' A' ' 107' ' ' LEU . 52.9 Cg_endo -69.75 -173.6 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.7 2.267 . . . . 0.0 112.352 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -134.64 -54.94 0.83 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.145 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 21.2 p -64.64 -55.59 19.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.151 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -39.51 -42.02 1.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.681 HD21 HD23 ' A' ' 69' ' ' LEU . 29.2 tp -53.28 127.94 26.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.953 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -141.72 156.93 45.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.408 ' HB2' ' CE1' ' A' ' 105' ' ' TYR . 18.7 t-80 -93.91 126.84 39.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.685 HD22 ' CB ' ' A' ' 149' ' ' GLN . 8.0 mt -127.99 93.78 3.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 60.69 -166.65 11.83 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.456 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.84 170.54 19.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.907 0.384 . . . . 0.0 110.895 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.425 HG23 ' CG2' ' A' ' 104' ' ' VAL . 71.7 t -140.96 105.19 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.483 HG22 ' HA ' ' A' ' 101' ' ' THR . 53.3 t -115.3 103.58 15.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.129 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 62.4 t-80 -99.98 138.38 37.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 54.2 m -108.43 104.58 13.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.179 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -85.54 -175.4 5.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.548 ' O ' ' CG ' ' A' ' 97' ' ' HIS . 2.2 m -48.75 109.7 0.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.548 ' CG ' ' O ' ' A' ' 96' ' ' SER . 21.6 p-80 46.44 31.75 1.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 38.8 mt -141.32 151.06 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -133.44 119.12 19.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.443 ' O ' HG13 ' A' ' 92' ' ' VAL . 2.7 mm? -107.71 142.81 37.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.483 ' HA ' HG22 ' A' ' 92' ' ' VAL . 63.8 m -124.37 103.92 8.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.175 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -106.38 130.93 54.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -95.46 113.11 24.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.464 HG22 HG13 ' A' ' 142' ' ' VAL . 75.5 t -71.12 123.59 25.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.133 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.408 ' CE1' ' HB2' ' A' ' 87' ' ' HIS . 34.5 m-85 -136.23 133.38 36.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.006 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -109.23 140.6 15.73 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.498 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.831 HD21 ' HG2' ' A' ' 81' ' ' PRO . 1.9 tm? -157.47 112.41 2.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.865 0.364 . . . . 0.0 110.904 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.446 ' N ' HD13 ' A' ' 107' ' ' LEU . . . -132.44 140.07 48.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.048 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.637 HD22 ' HB2' ' A' ' 112' ' ' GLN . 70.9 mt -80.67 102.75 10.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -65.41 -53.83 37.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -151.22 39.26 0.82 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.568 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.637 ' HB2' HD22 ' A' ' 109' ' ' LEU . 13.3 mm100 -98.1 -178.18 3.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.869 0.366 . . . . 0.0 110.942 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 21.2 p -71.04 144.93 90.77 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.548 0.689 . . . . 0.0 111.166 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 172.58 12.44 Favored 'Trans proline' 0 C--N 1.34 0.116 0 C-N-CA 122.699 2.266 . . . . 0.0 112.248 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.689 HG21 ' HB1' ' A' ' 77' ' ' ALA . 7.9 p -99.42 -45.79 12.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.501 ' N ' HG13 ' A' ' 115' ' ' VAL . 34.9 p 44.3 29.0 0.33 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.111 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 32.3 m -142.8 137.81 29.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.578 ' O ' HG13 ' A' ' 118' ' ' VAL . 4.2 p -174.3 119.2 0.35 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.567 0.698 . . . . 0.0 111.177 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 170.28 16.94 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.662 2.241 . . . . 0.0 112.316 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 3.36 2.84 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.618 2.212 . . . . 0.0 112.402 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -103.91 -2.79 45.88 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.556 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.43 ' HB3' HG22 ' A' ' 118' ' ' VAL . . . -124.4 170.55 10.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.73 0.3 . . . . 0.0 111.167 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.435 ' NH1' ' HB2' ' A' ' 123' ' ' ARG . 1.1 ptm85 -151.94 134.96 15.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.84 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' TRP . . . . . 0.469 ' NE1' HD13 ' A' ' 37' ' ' LEU . 21.4 m95 -102.73 106.91 17.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.934 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.556 HD21 HD22 ' A' ' 38' ' ' LEU . 2.3 pp -125.38 169.85 11.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.938 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' THR . . . . . 0.556 HG22 ' HG3' ' A' ' 35' ' ' GLN . 7.7 p -90.7 160.91 15.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -46.73 -48.47 20.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -56.71 -47.99 78.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -59.76 -42.18 92.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.646 ' CE1' HG21 ' A' ' 135' ' ' VAL . 48.3 t80 -53.86 -50.24 66.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.84 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 33.5 m-70 -49.22 -51.04 35.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 71.9 p -70.56 -18.06 62.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 130' ' ' PHE . . . -69.95 147.54 50.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.129 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -71.76 96.75 1.66 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.646 HG21 ' CE1' ' A' ' 130' ' ' PHE . 1.9 t -130.31 145.78 35.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 13.7 p -69.47 151.57 45.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 18.5 m -46.23 -56.3 5.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -39.78 -62.12 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' MET . . . . . 0.599 ' HB2' HG12 ' A' ' 135' ' ' VAL . 28.2 mmm -59.59 -50.42 73.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.419 ' CG ' ' HB ' ' A' ' 135' ' ' VAL . 12.1 mtpt -53.2 -21.22 4.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.446 ' O ' HG23 ' A' ' 145' ' ' VAL . 31.0 mttp -86.19 -27.72 24.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.464 HG13 HG22 ' A' ' 104' ' ' VAL . 84.4 t -66.2 -20.8 27.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.114 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -77.02 -59.14 2.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -51.68 -31.07 24.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.83 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 141' ' ' LYS . 95.6 t -77.25 -30.76 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.093 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -72.99 -34.55 66.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -64.7 -50.77 65.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -118.54 80.5 0.31 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.546 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' GLN . . . . . 0.685 ' CB ' HD22 ' A' ' 88' ' ' LEU . 1.8 pp0? -55.47 -51.02 68.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.806 0.336 . . . . 0.0 110.934 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 150' ' ' SER . . . . . 0.519 ' N ' ' CD ' ' A' ' 149' ' ' GLN . 20.9 m -40.72 -50.89 3.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 130.33 -154.19 20.5 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.554 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 166.91 26.13 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.621 2.214 . . . . 0.0 112.364 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 69.8 p -159.64 -175.84 5.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 4.5 t -127.06 175.59 8.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.892 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.458 -179.988 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.3 p -140.98 114.25 8.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.91 0.386 . . . . 0.0 110.82 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -54.73 153.39 6.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.82 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.0 148.37 7.94 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.473 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.9 t -159.51 132.62 6.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.91 0.386 . . . . 0.0 110.873 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.9 m -98.14 75.41 2.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.821 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.22 -154.54 24.43 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.447 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 118.49 5.71 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.712 2.275 . . . . 0.0 112.37 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 11' ' ' ALA . 22.0 mmt180 -48.45 -74.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.814 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.418 ' HG2' ' N ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -39.39 -27.44 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 9' ' ' ARG . . . -121.03 73.96 1.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.071 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.0 m -80.75 -51.54 8.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.9 mtt180 -80.07 -38.38 31.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.401 ' O ' ' HB1' ' A' ' 11' ' ' ALA . 14.8 mttt -100.68 162.65 20.05 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.555 0.693 . . . . 0.0 110.896 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 169.83 18.08 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.69 2.26 . . . . 0.0 112.306 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.8 Cg_endo -69.68 -24.88 29.55 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.682 2.254 . . . . 0.0 112.348 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 16' ' ' PRO . 39.7 mtt180 -37.9 -63.77 0.45 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -79.08 100.29 7.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.798 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -146.62 113.44 6.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.94 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.404 ' C ' ' HB2' ' A' ' 58' ' ' TRP . 48.3 m -123.3 142.91 50.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.3 m -150.3 157.31 42.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.804 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.408 ' HB3' ' NE2' ' A' ' 65' ' ' GLN . . . -123.37 107.38 11.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.096 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.553 HG23 HG11 ' A' ' 142' ' ' VAL . 9.5 t -104.4 147.52 27.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.147 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 43.1 t -130.94 153.26 49.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 98.0 t -101.31 125.72 55.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.107 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.712 HD13 HD11 ' A' ' 80' ' ' LEU . 47.2 tp -107.46 106.64 17.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.44 ' OE2' ' C ' ' A' ' 35' ' ' GLN . 3.1 tp10 -118.09 143.64 46.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.531 ' HG2' ' CZ3' ' A' ' 124' ' ' TRP . 4.4 pt20 -149.56 141.04 14.65 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.571 0.7 . . . . 0.0 110.915 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 132.32 22.95 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.62 2.214 . . . . 0.0 112.298 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -107.69 -138.42 8.69 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.464 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.85 -51.59 6.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.848 0.356 . . . . 0.0 111.119 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.1 mt -79.24 -40.56 30.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -164.67 -93.2 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.493 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -156.22 159.47 38.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.725 0.298 . . . . 0.0 111.131 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.44 ' C ' ' OE2' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -150.38 146.36 26.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.401 ' CG2' ' HB2' ' A' ' 27' ' ' GLU . 3.4 pt -98.47 176.78 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.569 HD13 ' NE1' ' A' ' 124' ' ' TRP . 11.8 tp -109.47 147.61 32.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' A' ' 38' ' ' LEU . 9.9 tp -142.57 122.32 13.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 31.3 m -106.48 158.89 6.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.095 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -124.34 122.4 37.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.424 ' NH1' ' HG3' ' A' ' 52' ' ' GLU . 9.1 mpt_? -64.03 157.72 67.35 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.654 0.74 . . . . 0.0 110.864 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.511 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 53.3 Cg_endo -69.72 -167.75 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.721 2.281 . . . . 0.0 112.341 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -80.14 55.04 2.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.96 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.7 p -50.39 -57.01 8.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.462 ' H ' ' HB2' ' A' ' 48' ' ' ALA . . . -174.47 -135.4 2.04 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.507 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 28.0 mt -47.36 -75.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.876 0.37 . . . . 0.0 110.969 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.9 tp -81.94 79.54 8.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.511 ' HB1' ' O ' ' A' ' 42' ' ' PRO . . . -130.5 165.89 21.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.059 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.66 32.29 81.0 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.496 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.402 ' CD2' ' O ' ' A' ' 48' ' ' ALA . 4.5 mm? -107.42 136.26 47.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.368 . . . . 0.0 110.887 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.471 ' CZ3' ' HG2' ' A' ' 123' ' ' ARG . 86.1 m95 -71.95 133.95 45.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.904 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.424 ' HG3' ' NH1' ' A' ' 41' ' ' ARG . 3.6 pt-20 -170.3 165.69 8.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.689 ' CZ ' ' CE1' ' A' ' 130' ' ' PHE . 19.6 m-85 -70.12 148.19 95.87 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.618 0.723 . . . . 0.0 110.816 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 142.59 48.21 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.633 2.222 . . . . 0.0 112.338 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.1 p -144.23 159.17 43.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.408 HG12 ' HB2' ' A' ' 72' ' ' GLU . 8.9 m -124.51 176.55 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 21.3 p -61.43 144.03 54.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.163 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.404 ' HB2' ' C ' ' A' ' 20' ' ' SER . 86.7 t90 -63.54 141.81 58.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.914 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -124.11 135.04 25.91 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.588 0.708 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -28.57 25.22 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.628 2.219 . . . . 0.0 112.369 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.528 ' HB2' HD22 ' A' ' 64' ' ' LEU . 3.1 t -92.51 151.65 20.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -70.49 -30.07 66.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 47.0 tp60 -81.7 -61.28 1.97 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.528 HD22 ' HB2' ' A' ' 61' ' ' SER . 1.0 OUTLIER -39.19 -41.99 0.92 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.957 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.408 ' NE2' ' HB3' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -55.24 -52.01 64.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.889 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.3 mtp180 -68.06 -49.19 62.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -45.69 -57.6 4.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.924 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.75 -49.32 47.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.1 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 31.6 tp -40.77 -45.25 2.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.58 HD22 ' HB3' ' A' ' 80' ' ' LEU . 86.1 mt -69.76 -51.11 36.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.843 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -36.94 -42.02 0.37 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.408 ' HB2' HG12 ' A' ' 56' ' ' VAL . 3.2 tp10 -69.06 -55.91 9.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 37.4 mt -45.55 -47.39 14.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -52.8 -43.41 65.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 64.9 mtp180 -51.36 -34.11 32.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 82.2 m95 -87.08 -70.91 0.58 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.56 ' HB1' HG21 ' A' ' 115' ' ' VAL . . . -77.98 -71.67 0.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 147.18 -99.04 0.2 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.559 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 108.25 2.03 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.67 2.247 . . . . 0.0 112.338 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.712 HD11 HD13 ' A' ' 26' ' ' LEU . 4.3 mm? -120.66 133.24 24.03 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.599 0.714 . . . . 0.0 110.932 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.812 ' HG2' HD21 ' A' ' 107' ' ' LEU . 53.1 Cg_endo -69.8 174.6 9.3 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.668 2.245 . . . . 0.0 112.369 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -118.57 -52.63 2.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.094 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 85.3 m -66.2 -49.79 66.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.166 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -41.56 -43.74 2.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.824 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.503 ' CA ' HD23 ' A' ' 107' ' ' LEU . 37.3 tp -52.08 134.42 32.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 56.7 mtt180 -154.97 136.91 14.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.477 ' O ' HD23 ' A' ' 88' ' ' LEU . 16.6 t-80 -75.31 124.09 26.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.817 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.722 HD13 ' HB3' ' A' ' 149' ' ' GLN . 40.8 mt -128.42 91.85 3.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 74.74 -172.78 52.62 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.51 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -150.12 170.93 17.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.845 0.355 . . . . 0.0 110.902 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.501 HG23 ' CG2' ' A' ' 104' ' ' VAL . 75.2 t -139.14 106.15 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.178 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 73.2 t -120.7 102.61 12.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.134 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -98.18 108.54 21.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.853 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 38.3 m -81.52 108.05 14.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.151 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -82.68 178.23 8.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.861 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 12.8 t -48.96 -69.46 0.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.422 ' C ' HG13 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -118.0 29.69 7.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.422 HG13 ' C ' ' A' ' 97' ' ' HIS . 63.9 mt -146.8 144.58 20.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.409 ' C ' ' HD2' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -127.83 116.52 20.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.877 179.825 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -103.51 146.16 28.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 94.1 m -132.48 97.66 4.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.085 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -98.83 144.77 27.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -106.46 115.35 30.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.95 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.627 HG22 HG13 ' A' ' 142' ' ' VAL . 84.2 t -74.69 124.39 32.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.2 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.47 ' CE1' ' HB2' ' A' ' 87' ' ' HIS . 42.4 m-85 -131.89 134.92 46.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.963 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -109.72 131.79 10.68 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.466 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.812 HD21 ' HG2' ' A' ' 81' ' ' PRO . 1.4 tm? -147.6 119.96 8.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.814 0.34 . . . . 0.0 110.956 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.615 ' N ' HD13 ' A' ' 107' ' ' LEU . . . -137.97 150.91 47.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 57.6 mt -93.52 103.05 15.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -39.05 -44.75 1.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 148.44 62.36 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.53 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -105.53 -71.44 0.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.931 0.396 . . . . 0.0 110.91 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 38.2 p -147.51 139.97 14.38 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.582 0.706 . . . . 0.0 111.103 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 172.38 12.66 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.699 2.266 . . . . 0.0 112.36 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.56 HG21 ' HB1' ' A' ' 77' ' ' ALA . 7.7 p -96.86 -42.49 11.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.421 ' N ' HG13 ' A' ' 115' ' ' VAL . 30.6 p 43.52 31.34 0.42 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.138 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 24.4 m -143.71 129.96 19.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.571 ' CG2' ' HB3' ' A' ' 122' ' ' ALA . 8.1 p -171.93 127.7 0.6 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.681 0.753 . . . . 0.0 111.075 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 169.75 18.2 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.754 2.303 . . . . 0.0 112.306 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 2.65 3.35 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.67 2.246 . . . . 0.0 112.311 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -109.01 15.08 33.83 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.512 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.571 ' HB3' ' CG2' ' A' ' 118' ' ' VAL . . . -138.73 169.94 16.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.737 0.303 . . . . 0.0 111.117 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.493 ' NE ' HD23 ' A' ' 125' ' ' LEU . 10.9 ptm180 -151.98 141.53 21.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' TRP . . . . . 0.569 ' NE1' HD13 ' A' ' 37' ' ' LEU . 29.3 m95 -107.91 109.74 21.33 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.493 HD23 ' NE ' ' A' ' 123' ' ' ARG . 0.9 OUTLIER -124.83 169.81 11.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 18.5 p -80.39 170.74 15.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -53.74 -54.69 34.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -57.51 -53.53 57.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -42.08 -46.33 4.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.689 ' CE1' ' CZ ' ' A' ' 53' ' ' PHE . 15.6 t80 -53.23 -53.76 45.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.849 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -43.2 -57.29 3.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 23.4 p -62.14 -50.92 69.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.138 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -36.48 153.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.104 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -71.9 99.21 2.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.083 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.59 HG12 ' HB2' ' A' ' 139' ' ' MET . 3.4 t -130.03 138.76 53.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.159 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 48.4 p -66.76 156.25 35.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.689 HG22 ' HD2' ' A' ' 141' ' ' LYS . 24.9 m -48.0 -57.48 5.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.08 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -43.0 -70.3 0.11 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.082 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' MET . . . . . 0.59 ' HB2' HG12 ' A' ' 135' ' ' VAL . 32.0 mmm -49.8 -48.51 50.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.453 ' CG ' ' HB ' ' A' ' 135' ' ' VAL . 57.4 mttt -52.26 -31.95 34.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.689 ' HD2' HG22 ' A' ' 137' ' ' THR . 33.7 mtpt -74.09 -43.17 58.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.948 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.627 HG13 HG22 ' A' ' 104' ' ' VAL . 60.4 t -50.73 -27.64 5.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -73.19 -70.75 0.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -43.27 -33.74 1.03 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 141' ' ' LYS . 72.0 t -70.22 -39.38 76.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.068 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -72.69 -42.01 64.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -40.68 -62.04 0.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.961 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -93.62 118.35 5.68 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.525 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' GLN . . . . . 0.722 ' HB3' HD13 ' A' ' 88' ' ' LEU . 7.1 pt20 -127.98 130.07 47.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.843 0.354 . . . . 0.0 110.856 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 25.7 p -76.34 94.87 3.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -142.98 -176.88 17.46 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.523 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.9 141.25 44.17 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.661 2.24 . . . . 0.0 112.304 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 69.6 m -79.05 -55.3 5.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 44.5 p -154.15 132.07 11.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.851 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.468 -179.965 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -140.32 135.68 32.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.889 0.376 . . . . 0.0 110.852 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -145.92 146.25 30.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.28 -137.89 2.64 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.476 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.9 p -116.53 163.07 16.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.912 0.386 . . . . 0.0 110.831 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.412 ' HB3' ' NH1' ' A' ' 41' ' ' ARG . 17.3 m -87.16 42.16 1.02 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.41 87.45 0.43 Allowed Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.469 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 0.53 5.45 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.726 2.284 . . . . 0.0 112.338 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.7 tpp180 -77.94 -49.8 13.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.6 pttt -73.38 -19.3 61.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.489 ' HB1' ' HE ' ' A' ' 13' ' ' ARG . . . -69.22 117.41 10.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.085 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.6 m -100.49 -35.52 9.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.489 ' HE ' ' HB1' ' A' ' 11' ' ' ALA . 2.1 ppt_? -40.74 -32.18 0.2 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.888 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.462 ' N ' ' HD2' ' A' ' 13' ' ' ARG . 16.5 mmtm -138.68 146.11 49.09 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.565 0.698 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 146.23 59.96 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.745 2.297 . . . . 0.0 112.339 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -30.77 21.75 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.743 2.295 . . . . 0.0 112.33 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -38.73 -65.35 0.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -85.85 100.33 11.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -143.51 113.46 7.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.0 m -121.91 144.78 48.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.5 m -148.98 158.22 44.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.411 ' HB2' ' CD ' ' A' ' 65' ' ' GLN . . . -113.25 113.02 24.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.071 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.519 HG21 HG21 ' A' ' 142' ' ' VAL . 2.3 t -108.99 146.29 34.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.17 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.543 ' HB2' HD21 ' A' ' 69' ' ' LEU . 1.6 t -131.99 156.77 45.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.429 ' N ' ' SG ' ' A' ' 24' ' ' CYS . 47.1 t -107.89 99.65 9.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.141 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.1 tp -86.4 110.26 19.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.483 ' HB2' HG22 ' A' ' 36' ' ' ILE . 22.9 tt0 -122.55 151.37 41.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.437 ' N ' ' HG2' ' A' ' 27' ' ' GLU . 16.4 tt0 -140.28 138.24 18.88 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.601 0.715 . . . . 0.0 110.945 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 125.42 12.12 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.728 2.285 . . . . 0.0 112.339 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -113.6 -97.85 2.28 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.447 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -127.95 -73.2 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.837 0.351 . . . . 0.0 111.117 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.5 mt -57.24 -39.71 76.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.923 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -167.39 -80.91 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.511 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -166.92 166.37 15.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.749 0.309 . . . . 0.0 111.094 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.413 ' CG ' HG22 ' A' ' 126' ' ' THR . 11.1 mt-30 -136.28 138.0 41.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.483 HG22 ' HB2' ' A' ' 27' ' ' GLU . 6.4 pt -103.83 172.8 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.5 tp -108.3 140.14 41.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.532 ' CD2' HD21 ' A' ' 125' ' ' LEU . 10.4 tp -137.34 125.6 23.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.645 HG11 ' CE2' ' A' ' 76' ' ' TRP . 34.9 m -111.38 131.76 61.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.42 ' HB2' ' CZ3' ' A' ' 51' ' ' TRP . 29.9 tt0 -71.21 160.05 33.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.412 ' NH1' ' HB3' ' A' ' 6' ' ' SER . 2.6 mmp_? -104.3 152.85 39.31 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.563 0.697 . . . . 0.0 110.869 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 159.66 52.58 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.653 2.236 . . . . 0.0 112.363 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -77.46 91.73 3.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.2 t -129.58 83.2 2.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.649 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . 57.18 -147.16 35.27 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.494 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 11.7 mt -39.46 159.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.942 0.401 . . . . 0.0 110.833 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.0 mp 42.83 46.65 4.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.649 ' HB2' ' O ' ' A' ' 45' ' ' GLY . . . -88.91 115.95 26.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 88.53 52.24 2.89 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -116.75 140.17 49.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.33 . . . . 0.0 110.941 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.482 ' O ' HG13 ' A' ' 135' ' ' VAL . 82.4 m95 -88.85 133.21 34.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.405 ' CB ' ' HG3' ' A' ' 139' ' ' MET . 5.6 pt-20 -160.7 157.7 27.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.614 ' CZ ' ' CE2' ' A' ' 130' ' ' PHE . 15.8 m-85 -56.25 146.31 52.62 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.636 0.731 . . . . 0.0 110.903 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 143.99 52.45 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.724 2.283 . . . . 0.0 112.304 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.2 p -145.68 160.85 41.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.9 m -124.37 175.97 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.143 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.7 p -58.88 135.5 57.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.47 ' CG ' ' N ' ' A' ' 59' ' ' GLU . 80.2 t90 -60.54 165.62 3.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.862 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.47 ' N ' ' CG ' ' A' ' 58' ' ' TRP . 5.9 mm-40 -148.69 139.69 13.75 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.715 0.769 . . . . 0.0 110.825 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -17.47 37.72 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.625 2.217 . . . . 0.0 112.37 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.4 t -103.94 155.47 18.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -78.54 -23.77 46.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -86.68 -48.58 8.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.3 mp -55.99 -34.2 65.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.411 ' CD ' ' HB2' ' A' ' 22' ' ' ALA . 8.4 tp60 -61.02 -54.56 43.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.464 ' HG2' HD23 ' A' ' 85' ' ' LEU . 57.1 mtp180 -63.33 -38.71 92.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.861 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.2 mtmt -49.87 -65.28 0.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.942 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.76 -37.24 86.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.603 HD23 HD21 ' A' ' 85' ' ' LEU . 22.5 tp -44.13 -60.93 1.66 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.63 HD22 ' HB3' ' A' ' 80' ' ' LEU . 86.0 mt -62.83 -48.4 79.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 70' ' ' LEU . 35.8 mm-40 -35.19 -38.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.941 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -79.51 -54.09 6.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.466 HD12 HD23 ' A' ' 70' ' ' LEU . 30.7 mt -42.68 -49.52 5.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -50.43 -44.73 55.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -51.8 -32.76 32.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.851 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.84 ' CE3' ' HB2' ' A' ' 122' ' ' ALA . 89.9 m95 -84.58 -71.35 0.52 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.437 ' CA ' HG21 ' A' ' 115' ' ' VAL . . . -80.51 -70.05 0.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.04 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 149.47 -99.79 0.2 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.542 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.469 ' O ' HD22 ' A' ' 80' ' ' LEU . 52.8 Cg_endo -69.8 111.42 2.81 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.701 2.267 . . . . 0.0 112.304 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.63 ' HB3' HD22 ' A' ' 70' ' ' LEU . 4.3 mm? -125.03 134.4 25.68 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.627 0.727 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.875 ' HG2' HD21 ' A' ' 107' ' ' LEU . 53.2 Cg_endo -69.84 -173.93 0.82 Allowed 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.609 2.206 . . . . 0.0 112.264 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -131.26 -69.25 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.115 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 51.5 m -55.76 -34.99 65.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.198 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -54.04 -37.26 63.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.603 HD21 HD23 ' A' ' 69' ' ' LEU . 10.4 tp -61.35 119.86 9.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.956 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.7 tpp180 -127.43 138.85 53.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -71.13 122.85 20.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 38.5 mt -127.56 93.27 3.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.945 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 58.92 -174.32 3.28 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.457 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -142.54 170.57 15.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.903 0.382 . . . . 0.0 110.836 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.468 HG23 ' CG2' ' A' ' 104' ' ' VAL . 54.4 t -139.19 104.99 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.131 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.469 HG22 HG23 ' A' ' 101' ' ' THR . 45.1 t -115.68 113.43 43.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.403 ' CE1' ' CE1' ' A' ' 95' ' ' PHE . 53.2 t-80 -106.81 156.06 19.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 24.7 m -125.63 123.15 38.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.167 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.403 ' CE1' ' CE1' ' A' ' 93' ' ' HIS . 39.4 m-85 -109.15 -178.33 3.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.54 ' O ' ' N ' ' A' ' 98' ' ' ILE . 65.3 m -53.39 127.57 25.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.824 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.582 ' O ' ' CG ' ' A' ' 97' ' ' HIS . 3.0 p-80 34.42 30.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.81 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.552 HG22 ' N ' ' A' ' 99' ' ' LYS . 36.1 mt -145.38 159.89 12.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.552 ' N ' HG22 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -142.21 131.04 22.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.852 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.422 HD22 ' O ' ' A' ' 99' ' ' LYS . 2.8 mm? -119.47 149.76 41.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.971 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.469 HG23 HG22 ' A' ' 92' ' ' VAL . 18.3 m -138.36 115.09 10.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.171 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -114.05 138.82 49.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -101.75 115.97 31.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.468 ' CG2' HG23 ' A' ' 91' ' ' VAL . 60.1 t -70.6 127.15 32.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.074 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.504 ' HB3' HD11 ' A' ' 85' ' ' LEU . 13.4 m-85 -136.05 108.64 7.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.944 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -84.84 133.93 12.22 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.468 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.875 HD21 ' HG2' ' A' ' 81' ' ' PRO . 1.8 tm? -150.55 112.16 4.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.866 0.365 . . . . 0.0 110.894 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.47 ' N ' HD13 ' A' ' 107' ' ' LEU . . . -129.73 137.97 50.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.129 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 60.8 mt -73.85 114.98 12.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.966 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -50.42 -18.07 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 117.61 51.01 0.35 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.527 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -91.72 -64.38 1.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.897 0.379 . . . . 0.0 110.943 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 11.8 p -154.41 141.43 13.42 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.587 0.708 . . . . 0.0 111.182 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 -175.03 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.722 2.282 . . . . 0.0 112.34 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.455 ' O ' ' C ' ' A' ' 116' ' ' THR . 8.4 p -119.98 -40.42 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.142 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.455 ' C ' ' O ' ' A' ' 115' ' ' VAL . 20.7 p 33.76 42.9 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.076 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 24.7 m -162.06 119.89 2.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.876 ' CG2' ' HB3' ' A' ' 122' ' ' ALA . 11.1 p -142.93 137.19 14.76 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.568 0.699 . . . . 0.0 111.133 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.559 ' HD2' HG23 ' A' ' 118' ' ' VAL . 53.7 Cg_endo -69.78 166.53 27.3 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.688 2.259 . . . . 0.0 112.355 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 95.85 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.654 2.236 . . . . 0.0 112.329 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 145.51 -7.45 1.54 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.428 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.876 ' HB3' ' CG2' ' A' ' 118' ' ' VAL . . . -111.59 163.81 13.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.772 0.32 . . . . 0.0 111.126 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.612 ' HD3' HD23 ' A' ' 125' ' ' LEU . 11.9 ttm180 -146.2 138.84 25.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 29.1 m95 -107.22 101.12 10.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.807 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.612 HD23 ' HD3' ' A' ' 123' ' ' ARG . 2.4 pp -118.75 169.85 9.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' THR . . . . . 0.413 HG22 ' CG ' ' A' ' 35' ' ' GLN . 6.7 p -84.69 166.57 16.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.196 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -51.49 -53.98 31.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.972 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -54.85 -50.45 68.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.817 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -47.63 -56.92 6.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.838 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.614 ' CE2' ' CZ ' ' A' ' 53' ' ' PHE . 10.2 t80 -38.89 -61.27 0.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.93 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' HIS . . . . . 0.421 ' C ' ' O ' ' A' ' 130' ' ' PHE . 3.1 m-70 -36.85 -62.09 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 63.1 p -57.19 -38.48 73.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.091 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 130' ' ' PHE . . . -49.52 157.12 0.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -76.8 98.57 4.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.041 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.806 HG12 ' HB2' ' A' ' 139' ' ' MET . 1.1 t -129.29 145.91 35.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 14.7 t -74.13 154.69 39.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 98.7 m -41.95 -66.73 0.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.147 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.413 ' O ' HG11 ' A' ' 91' ' ' VAL . . . -38.3 -62.57 0.57 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' MET . . . . . 0.806 ' HB2' HG12 ' A' ' 135' ' ' VAL . 45.4 mmm -50.45 -52.84 34.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 32.5 mttt -49.69 -28.08 5.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.76 ' O ' HG23 ' A' ' 145' ' ' VAL . 0.5 OUTLIER -80.56 -25.84 38.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.808 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.519 HG21 HG21 ' A' ' 23' ' ' THR . 20.6 t -65.6 -26.4 38.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.12 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.522 ' CZ ' ' CD ' ' A' ' 147' ' ' GLN . 56.9 t80 -79.02 -61.07 2.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.423 ' HB3' ' NH1' ' A' ' 144' ' ' ARG . 0.6 OUTLIER -48.74 -37.03 17.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.915 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.76 HG23 ' O ' ' A' ' 141' ' ' LYS . 90.8 t -66.34 -37.49 79.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.076 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -73.61 -32.77 64.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.973 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' GLN . . . . . 0.522 ' CD ' ' CZ ' ' A' ' 143' ' ' PHE . 23.8 mt-30 -74.58 -11.12 60.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.913 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -47.65 -77.23 0.11 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.388 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -55.48 -43.91 76.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.817 0.341 . . . . 0.0 110.901 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 4.0 m -40.29 133.6 1.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.832 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -153.12 83.8 0.16 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.512 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 146.92 61.47 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.637 2.224 . . . . 0.0 112.301 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 24.5 p -99.61 139.22 35.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.819 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 34.2 t -92.38 82.99 4.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.831 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.468 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.6 t -91.54 116.18 28.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.87 0.367 . . . . 0.0 110.867 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 t -161.39 118.23 2.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.2 160.02 27.15 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.425 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t -86.67 149.85 24.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.85 0.357 . . . . 0.0 110.895 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.4 p -78.57 -42.76 28.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.797 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.01 -83.97 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.423 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 112.08 2.99 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.601 2.2 . . . . 0.0 112.351 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -77.08 77.19 3.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.825 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -143.87 158.47 43.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.04 -42.79 73.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.071 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.0 p -93.34 174.9 6.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.7 ppt_? -86.33 22.06 1.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? -61.36 154.93 60.84 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.563 0.697 . . . . 0.0 110.871 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.79 169.61 18.56 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.661 2.241 . . . . 0.0 112.379 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.4 Cg_endo -69.78 -29.53 23.62 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.684 2.256 . . . . 0.0 112.33 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 16' ' ' PRO . 12.9 mmm180 -34.41 -66.35 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -84.51 102.37 12.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -144.45 113.31 6.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.839 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.572 ' HB3' ' CD1' ' A' ' 58' ' ' TRP . 68.2 m -112.77 148.77 34.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.41 ' OG ' ' CE2' ' A' ' 102' ' ' TYR . 8.9 p -150.67 152.07 33.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.875 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.432 ' HB2' ' CD ' ' A' ' 65' ' ' GLN . . . -121.72 104.67 9.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.641 HG21 HG21 ' A' ' 142' ' ' VAL . 6.8 t -105.49 148.83 26.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.2 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.619 ' HB2' HD21 ' A' ' 69' ' ' LEU . 42.4 t -134.18 151.04 51.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.3 t -94.92 131.22 42.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.427 HD13 HD11 ' A' ' 80' ' ' LEU . 39.9 tp -115.52 111.0 20.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.492 ' HB2' HG22 ' A' ' 36' ' ' ILE . 30.6 tt0 -121.04 154.0 36.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.502 ' NE2' HD12 ' A' ' 109' ' ' LEU . 1.0 OUTLIER -141.56 124.43 9.58 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.625 0.726 . . . . 0.0 110.878 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 118.97 6.0 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.717 2.278 . . . . 0.0 112.331 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -112.26 -145.5 9.74 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.54 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.05 -54.06 5.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.912 0.387 . . . . 0.0 111.151 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.2 mt -60.59 -50.54 73.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.975 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.03 -79.75 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.488 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.92 150.32 15.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.702 0.287 . . . . 0.0 111.175 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.429 ' HG3' ' C ' ' A' ' 125' ' ' LEU . 5.6 tt0 -139.94 138.19 35.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.874 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.492 HG22 ' HB2' ' A' ' 27' ' ' GLU . 3.9 pt -104.05 174.99 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.494 HD11 ' HB1' ' A' ' 122' ' ' ALA . 13.0 tp -108.02 151.42 25.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.456 ' CD2' HD21 ' A' ' 125' ' ' LEU . 10.2 tp -144.36 120.75 10.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.423 HG11 ' CE2' ' A' ' 76' ' ' TRP . 33.9 m -105.4 146.7 12.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -121.39 121.42 37.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.15 159.28 11.43 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.631 0.729 . . . . 0.0 110.897 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.521 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 53.5 Cg_endo -69.8 175.91 7.5 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.668 2.245 . . . . 0.0 112.32 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -79.14 52.3 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 71.8 m -116.41 79.59 1.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 134.27 164.65 10.69 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.548 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 13.0 mt -65.91 -53.97 32.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.809 0.338 . . . . 0.0 110.904 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.562 HD23 ' O ' ' A' ' 47' ' ' LEU . 1.5 tt -89.49 40.24 0.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.521 ' HB1' ' O ' ' A' ' 42' ' ' PRO . . . -103.65 166.5 10.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.078 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.65 27.03 59.74 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.41 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -106.07 136.5 45.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.782 0.325 . . . . 0.0 110.882 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.57 ' CZ3' ' HB3' ' A' ' 123' ' ' ARG . 98.7 m95 -70.13 131.05 43.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.96 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -167.46 161.97 14.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.939 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.667 ' CZ ' ' CE2' ' A' ' 130' ' ' PHE . 14.1 m-85 -66.42 152.37 94.7 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.677 0.751 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.82 142.78 48.6 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.672 2.248 . . . . 0.0 112.267 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.4 p -140.62 159.86 41.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.804 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.442 HG11 ' HA ' ' A' ' 69' ' ' LEU . 12.4 m -128.24 178.96 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.119 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 37.8 p -65.76 140.6 58.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.572 ' CD1' ' HB3' ' A' ' 20' ' ' SER . 89.7 t90 -64.85 151.34 45.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.512 ' OE1' HD23 ' A' ' 64' ' ' LEU . 25.3 mm-40 -140.08 136.86 17.44 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.678 0.752 . . . . 0.0 110.85 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.47 ' HA ' ' CH2' ' A' ' 58' ' ' TRP . 53.0 Cg_endo -69.86 -18.55 36.49 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.647 2.231 . . . . 0.0 112.305 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.8 m -100.74 132.84 45.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.829 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.479 ' OE1' ' N ' ' A' ' 63' ' ' GLN . 0.0 OUTLIER -54.11 -37.38 64.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.479 ' N ' ' OE1' ' A' ' 62' ' ' GLU . 25.8 tt0 -74.34 -65.48 0.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.512 HD23 ' OE1' ' A' ' 59' ' ' GLU . 10.0 mp -34.38 -41.17 0.11 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.432 ' CD ' ' HB2' ' A' ' 22' ' ' ALA . 6.2 tp60 -59.73 -49.74 76.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.478 ' CZ ' ' HB2' ' A' ' 66' ' ' ARG . 19.0 mtm105 -69.34 -32.95 72.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.7 mtpp -58.04 -52.56 65.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.79 -40.92 39.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.078 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.638 HD23 HD21 ' A' ' 85' ' ' LEU . 26.0 tp -46.18 -47.71 17.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.923 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 71' ' ' GLN . 74.5 mt -67.18 -49.63 63.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 70' ' ' LEU . 81.2 mt-30 -37.43 -52.62 1.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.976 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 75' ' ' ARG . 13.9 tt0 -61.18 -59.99 4.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 26.7 mt -38.41 -54.93 1.43 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.954 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -49.82 -40.42 41.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 72' ' ' GLU . 12.0 mmm180 -53.96 -30.88 48.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.57 ' CE3' ' HB2' ' A' ' 122' ' ' ALA . 76.3 m95 -88.3 -71.32 0.59 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -77.26 -72.43 0.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.068 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 152.1 -102.36 0.22 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.469 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.84 110.3 2.54 Favored 'Trans proline' 0 C--O 1.233 0.242 0 C-N-CA 122.71 2.273 . . . . 0.0 112.34 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.427 HD11 HD13 ' A' ' 26' ' ' LEU . 4.4 mm? -121.48 135.55 25.17 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.528 0.68 . . . . 0.0 110.979 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.854 ' HG2' HD21 ' A' ' 107' ' ' LEU . 53.5 Cg_endo -69.77 -172.06 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.631 2.221 . . . . 0.0 112.322 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -132.93 -61.74 0.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 11.4 p -60.59 -26.65 67.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.11 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -66.4 -35.24 79.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.638 HD21 HD23 ' A' ' 69' ' ' LEU . 30.9 tp -63.42 147.8 50.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.945 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -166.36 147.48 6.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.448 ' O ' HD23 ' A' ' 88' ' ' LEU . 20.7 t-80 -81.19 123.84 28.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.448 HD23 ' O ' ' A' ' 87' ' ' HIS . 34.2 mt -126.69 95.38 4.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.956 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.64 -172.76 27.54 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -150.32 171.13 17.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.891 0.377 . . . . 0.0 110.859 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 51.1 t -141.22 105.04 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 53.8 t -115.56 111.12 34.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.072 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 37.3 t60 -104.48 129.52 52.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 20.8 m -98.42 112.33 24.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.157 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -83.19 -175.55 5.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 37.4 m -49.51 -65.43 0.57 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.853 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -125.96 28.98 5.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.846 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 35.4 mt -143.3 147.79 19.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.128 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 29.5 tttm -127.19 112.82 15.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.874 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -99.26 144.29 28.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.951 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 54.9 m -127.48 109.54 11.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.41 ' CE2' ' OG ' ' A' ' 21' ' ' SER . 51.1 m-85 -108.9 149.52 29.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -113.89 113.33 24.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 66.4 t -72.23 128.72 35.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.066 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -133.23 147.77 51.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -119.28 136.84 12.18 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.854 HD21 ' HG2' ' A' ' 81' ' ' PRO . 1.5 tm? -156.68 116.49 3.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 0.0 110.898 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.557 ' N ' HD13 ' A' ' 107' ' ' LEU . . . -137.89 136.71 37.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.152 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.502 HD12 ' NE2' ' A' ' 28' ' ' GLN . 40.0 mt -76.88 106.63 8.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.935 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 48.2 tp10 -43.01 -41.67 3.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 150.31 56.65 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.456 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -95.69 -70.34 0.72 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.881 0.372 . . . . 0.0 110.865 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 22.1 p -151.93 135.11 9.21 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.547 0.689 . . . . 0.0 111.115 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.485 ' HA ' ' NE2' ' A' ' 28' ' ' GLN . 53.3 Cg_endo -69.81 166.92 26.02 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.68 2.253 . . . . 0.0 112.332 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.447 HG13 ' N ' ' A' ' 116' ' ' THR . 11.3 p -98.58 -41.68 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.447 ' N ' HG13 ' A' ' 115' ' ' VAL . 44.8 p 35.46 35.71 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.405 ' N ' ' O ' ' A' ' 115' ' ' VAL . 89.2 m -160.67 123.51 3.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.148 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.696 ' CG2' ' HB3' ' A' ' 122' ' ' ALA . 7.5 p -145.85 138.14 13.57 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.638 0.732 . . . . 0.0 111.136 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.616 ' HD2' HG23 ' A' ' 118' ' ' VAL . 53.0 Cg_endo -69.79 169.25 19.39 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.623 2.215 . . . . 0.0 112.302 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 110.56 2.57 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.759 2.306 . . . . 0.0 112.315 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 132.9 -22.14 4.09 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.486 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.696 ' HB3' ' CG2' ' A' ' 118' ' ' VAL . . . -103.04 141.54 35.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.774 0.321 . . . . 0.0 111.055 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.57 ' HB3' ' CZ3' ' A' ' 51' ' ' TRP . 13.6 ttm180 -123.34 143.36 50.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 27.5 m95 -109.19 103.36 12.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.938 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.456 HD21 ' CD2' ' A' ' 38' ' ' LEU . 1.1 pp -125.13 169.89 11.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 17.9 p -82.67 171.9 13.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -58.53 -46.55 86.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.938 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -62.6 -46.62 87.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -58.53 -28.98 65.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.865 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.667 ' CE2' ' CZ ' ' A' ' 53' ' ' PHE . 4.5 t80 -69.05 -45.5 70.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -50.44 -56.23 12.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 80.6 p -64.49 -43.58 93.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.181 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.595 ' O ' HG23 ' A' ' 135' ' ' VAL . . . -45.25 147.77 0.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.113 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.64 100.72 0.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.684 HG12 ' HB2' ' A' ' 139' ' ' MET . 3.1 t -130.85 143.17 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.117 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 17.5 m -67.99 154.06 42.42 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.606 HG22 ' HE3' ' A' ' 141' ' ' LYS . 32.7 m -47.69 -57.46 5.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -50.13 -63.03 1.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' MET . . . . . 0.684 ' HB2' HG12 ' A' ' 135' ' ' VAL . 35.7 mmm -48.4 -46.78 37.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -55.24 -30.02 59.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.606 ' HE3' HG22 ' A' ' 137' ' ' THR . 52.5 mttt -75.15 -36.07 61.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.91 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.641 HG21 HG21 ' A' ' 23' ' ' THR . 49.3 t -52.61 -25.29 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -79.69 -67.4 0.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.436 ' HB3' ' NH1' ' A' ' 144' ' ' ARG . 1.3 ptp180 -43.77 -36.85 2.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 71.4 t -67.19 -46.51 84.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -60.5 -45.02 95.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' ' 148' ' ' GLY . 29.1 mm-40 -55.12 -54.28 45.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 147' ' ' GLN . . . -34.72 -58.36 0.73 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.456 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 149' ' ' GLN . . . . . 0.408 ' HB2' HD13 ' A' ' 88' ' ' LEU . 6.8 mt-30 -84.89 92.93 8.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.844 0.354 . . . . 0.0 110.905 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 2.9 m -159.91 155.4 25.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -63.31 -178.91 4.82 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.507 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' PRO . . . . . 0.457 ' O ' ' C ' ' A' ' 153' ' ' SER . 54.0 Cg_endo -69.76 2.89 3.13 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.676 2.251 . . . . 0.0 112.335 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 153' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 152' ' ' PRO . 7.4 t -34.01 125.36 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.4 t -41.98 163.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.561 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.5 m 52.07 39.02 25.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 110.868 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 t -107.23 170.37 8.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.61 136.84 2.21 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.471 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.9 t -93.31 147.64 22.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.96 0.41 . . . . 0.0 110.789 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -112.21 141.46 45.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.851 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.409 ' HA2' ' HD2' ' A' ' 8' ' ' PRO . . . 150.41 111.24 0.54 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.517 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.409 ' HD2' ' HA2' ' A' ' 7' ' ' GLY . 53.8 Cg_endo -69.75 -9.77 26.92 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.706 2.271 . . . . 0.0 112.342 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.3 mtm180 -112.31 -49.83 2.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.12 -48.54 79.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.915 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.24 158.39 21.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.108 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.0 t -80.95 46.9 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -112.53 160.38 17.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.862 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.402 ' HE2' ' CD ' ' A' ' 15' ' ' PRO . 1.7 mmpt? -39.55 156.71 0.14 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.614 0.721 . . . . 0.0 110.838 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.402 ' CD ' ' HE2' ' A' ' 14' ' ' LYS . 53.7 Cg_endo -69.86 168.98 20.13 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.634 2.223 . . . . 0.0 112.338 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.7 Cg_endo -69.76 -30.16 22.72 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.595 2.197 . . . . 0.0 112.375 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 16' ' ' PRO . 85.9 mtt180 -36.29 -57.04 0.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -101.61 100.41 10.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -141.9 113.49 7.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.3 m -118.38 136.13 53.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.784 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.8 m -149.21 151.25 33.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.864 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.412 ' CB ' ' OE1' ' A' ' 65' ' ' GLN . . . -115.57 106.92 14.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.168 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.8 t -100.37 149.27 23.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.487 ' HB2' HD21 ' A' ' 69' ' ' LEU . 10.0 t -132.64 146.32 51.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 68.9 t -100.86 117.9 46.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.632 HD12 ' N ' ' A' ' 27' ' ' GLU . 4.2 tp -102.49 124.2 47.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.632 ' N ' HD12 ' A' ' 26' ' ' LEU . 32.5 tt0 -131.46 146.08 52.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.489 HE22 HG12 ' A' ' 115' ' ' VAL . 11.3 tt0 -144.11 136.05 13.06 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.57 0.7 . . . . 0.0 110.945 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 125.19 11.84 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.714 2.276 . . . . 0.0 112.29 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -118.71 -139.67 6.15 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.508 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.27 -58.46 3.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.863 0.363 . . . . 0.0 111.132 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.8 mt -56.19 -50.9 69.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.974 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.4 -53.68 0.15 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -162.82 152.92 16.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.7 0.286 . . . . 0.0 111.105 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -149.23 140.12 22.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.473 HD12 ' HE1' ' A' ' 53' ' ' PHE . 3.7 pt -103.29 175.74 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.9 tp -110.41 134.27 52.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.937 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.5 ' CD2' HD21 ' A' ' 125' ' ' LEU . 9.7 tp -131.62 122.73 26.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.682 HG11 ' CE2' ' A' ' 76' ' ' TRP . 34.2 m -111.37 146.44 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.21 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -99.5 163.25 12.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.946 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 -115.06 157.89 42.3 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.641 0.734 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.411 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 53.6 Cg_endo -69.74 -176.13 1.38 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.679 2.252 . . . . 0.0 112.336 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -78.6 57.68 2.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.1 t -51.55 -65.71 0.51 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.797 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.491 ' H ' ' HB2' ' A' ' 48' ' ' ALA . . . -145.47 -130.97 2.27 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.526 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.4 mt -77.62 -57.45 3.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.905 0.383 . . . . 0.0 110.918 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.4 tp -80.06 45.82 0.76 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.491 ' HB2' ' H ' ' A' ' 45' ' ' GLY . . . -105.99 177.47 4.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.094 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.53 35.66 87.01 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.436 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.436 ' CD2' ' O ' ' A' ' 48' ' ' ALA . 4.4 mm? -114.14 148.57 37.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.832 0.348 . . . . 0.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 86.4 m95 -88.67 125.89 35.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -155.33 154.78 32.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.753 ' CZ ' ' CE1' ' A' ' 130' ' ' PHE . 16.2 m-85 -56.52 151.7 28.49 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.618 0.723 . . . . 0.0 110.928 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 142.68 48.94 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.717 2.278 . . . . 0.0 112.376 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.5 p -146.31 163.63 34.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.1 m -126.38 177.15 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.104 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.6 t -67.76 150.65 48.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.459 ' CG ' ' N ' ' A' ' 59' ' ' GLU . 75.4 t90 -58.92 168.02 1.41 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.897 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.459 ' N ' ' CG ' ' A' ' 58' ' ' TRP . 5.2 mm-40 -154.37 134.56 8.07 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.698 0.761 . . . . 0.0 110.803 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -22.41 32.18 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.667 2.244 . . . . 0.0 112.347 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.2 t -103.37 131.92 50.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -56.02 -28.2 56.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -80.24 -62.25 1.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.458 ' H ' HD13 ' A' ' 64' ' ' LEU . 1.9 mp -40.78 -37.3 0.74 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.431 ' NE2' ' HA ' ' A' ' 65' ' ' GLN . 2.3 tp-100 -60.47 -54.9 39.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.86 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 40.2 mtt180 -65.88 -39.35 90.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.817 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 32.1 mtpt -53.41 -54.86 30.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.92 -32.74 61.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.118 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.487 HD21 ' HB2' ' A' ' 24' ' ' CYS . 38.7 tp -53.68 -53.71 48.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 89.4 mt -63.42 -46.45 86.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -38.39 -40.73 0.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -70.86 -58.09 3.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.918 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 29.9 mt -41.58 -52.12 3.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -50.28 -38.15 39.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 60.4 mtt-85 -58.31 -29.91 66.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.682 ' CE2' HG11 ' A' ' 39' ' ' VAL . 75.9 m95 -88.85 -70.23 0.66 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.508 ' HA ' HG21 ' A' ' 115' ' ' VAL . . . -82.04 -72.76 0.42 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 155.82 -102.6 0.22 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.486 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.522 ' O ' HD22 ' A' ' 80' ' ' LEU . 54.2 Cg_endo -69.75 118.89 5.95 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.667 2.245 . . . . 0.0 112.393 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.522 HD22 ' O ' ' A' ' 79' ' ' PRO . 4.3 mm? -126.42 135.22 26.89 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.637 0.732 . . . . 0.0 110.863 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.726 ' HG2' HD21 ' A' ' 107' ' ' LEU . 52.9 Cg_endo -69.81 171.92 13.64 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.672 2.248 . . . . 0.0 112.337 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -117.45 -58.99 1.98 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.067 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 51.5 p -63.18 -31.45 72.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.151 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -57.34 -40.99 79.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.42 HD21 HD23 ' A' ' 69' ' ' LEU . 14.7 tp -56.64 137.94 53.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 -157.0 139.15 14.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.83 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.577 ' HB2' ' CE1' ' A' ' 105' ' ' TYR . 18.5 t-80 -75.86 120.03 20.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.508 ' O ' HG12 ' A' ' 145' ' ' VAL . 17.9 mt -123.66 93.96 4.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.25 -170.86 29.48 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.466 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.13 171.25 16.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.945 0.403 . . . . 0.0 110.838 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 13.8 t -139.94 105.05 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.095 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.1 t -115.51 103.82 15.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.506 ' ND1' ' CE1' ' A' ' 95' ' ' PHE . 61.0 t-80 -99.2 126.69 45.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.4 p -93.98 113.25 25.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.506 ' CE1' ' ND1' ' A' ' 93' ' ' HIS . 57.3 m-85 -102.54 -178.33 3.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.487 ' O ' ' CG ' ' A' ' 97' ' ' HIS . 45.3 m -47.65 107.86 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.487 ' CG ' ' O ' ' A' ' 96' ' ' SER . 19.5 p-80 44.02 36.61 1.49 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.417 HG13 ' C ' ' A' ' 97' ' ' HIS . 23.9 mt -143.28 142.98 25.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.065 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 34.1 tttt -127.59 112.36 14.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -98.76 142.26 30.53 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 20.5 m -122.4 97.79 5.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.188 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -101.96 131.84 48.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.982 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -99.67 113.42 25.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.561 HG13 HG13 ' A' ' 142' ' ' VAL . 59.0 t -73.69 125.21 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.161 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.577 ' CE1' ' HB2' ' A' ' 87' ' ' HIS . 27.9 m-85 -136.74 120.11 16.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.939 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -92.74 143.62 16.6 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.726 HD21 ' HG2' ' A' ' 81' ' ' PRO . 0.4 OUTLIER -154.82 114.62 3.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.769 0.319 . . . . 0.0 110.903 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.627 ' N ' HD13 ' A' ' 107' ' ' LEU . . . -127.43 146.6 50.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.169 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.416 HD21 ' HD3' ' A' ' 81' ' ' PRO . 71.7 mt -92.68 115.45 28.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -63.23 -46.78 85.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 163.53 45.59 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.51 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -84.06 -71.76 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.847 0.356 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 22.6 p -151.36 128.73 5.61 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.614 0.721 . . . . 0.0 111.11 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -178.85 2.53 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.649 2.233 . . . . 0.0 112.315 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.532 HG22 ' O ' ' A' ' 117' ' ' THR . 7.1 p -120.53 -44.89 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.179 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.465 ' N ' HG13 ' A' ' 115' ' ' VAL . 33.9 p 38.25 33.21 0.06 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.532 ' O ' HG22 ' A' ' 115' ' ' VAL . 4.3 t -165.33 148.82 8.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.639 ' CG2' ' HB3' ' A' ' 122' ' ' ALA . 6.4 p -157.26 137.5 8.91 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.644 0.735 . . . . 0.0 111.11 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.613 ' HD2' HG23 ' A' ' 118' ' ' VAL . 53.6 Cg_endo -69.74 169.17 19.5 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.662 2.241 . . . . 0.0 112.356 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.87 112.91 3.22 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.617 2.211 . . . . 0.0 112.362 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 128.23 -9.36 6.62 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.53 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.669 ' HB2' ' CE3' ' A' ' 76' ' ' TRP . . . -118.45 156.61 28.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.805 0.336 . . . . 0.0 111.116 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.45 ' NE ' HD23 ' A' ' 125' ' ' LEU . 11.7 ptm180 -140.99 144.87 35.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 28.9 m95 -109.95 111.44 22.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.5 HD21 ' CD2' ' A' ' 38' ' ' LEU . 1.9 pp -127.69 169.9 13.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.8 p -82.2 158.42 23.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -49.61 -35.35 20.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -70.73 -51.86 24.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -50.35 -46.46 55.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.753 ' CE1' ' CZ ' ' A' ' 53' ' ' PHE . 11.7 t80 -46.15 -60.5 2.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 130' ' ' PHE . 4.4 m-70 -37.99 -63.83 0.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 70.9 p -57.59 -42.8 83.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 130' ' ' PHE . . . -45.84 152.91 0.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.098 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -69.48 101.45 1.59 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.066 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.566 HG12 ' HB2' ' A' ' 139' ' ' MET . 5.0 t -131.62 147.35 32.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 41.5 t -71.95 146.05 48.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.591 HG22 ' HD2' ' A' ' 141' ' ' LYS . 96.3 m -39.32 -65.92 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.171 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -38.21 -72.0 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.081 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' MET . . . . . 0.566 ' HB2' HG12 ' A' ' 135' ' ' VAL . 42.1 mmm -41.1 -58.42 1.77 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.91 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.408 ' CG ' ' HB ' ' A' ' 135' ' ' VAL . 3.4 mtpm? -44.35 -35.03 2.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.948 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.591 ' HD2' HG22 ' A' ' 137' ' ' THR . 6.7 mtpm? -72.85 -35.2 67.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.561 HG13 HG13 ' A' ' 104' ' ' VAL . 24.2 t -55.85 -19.72 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -76.6 -66.68 0.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 33.4 ptt85 -45.89 -28.82 1.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.508 HG12 ' O ' ' A' ' 88' ' ' LEU . 86.4 t -78.1 -36.76 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.136 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -72.54 -32.13 65.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -51.73 -62.59 1.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -81.14 116.13 4.15 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.484 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' A' ' 150' ' ' SER . 7.7 pt20 -116.47 79.08 1.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.803 0.335 . . . . 0.0 110.876 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 150' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 149' ' ' GLN . 10.4 t 35.22 41.52 0.08 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.8 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -171.56 73.78 0.1 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.508 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 151.93 69.1 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.701 2.267 . . . . 0.0 112.38 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 6.1 t -97.86 125.34 42.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.794 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 91.9 p -53.03 135.7 36.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.465 -179.982 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.247 0 N-CA-C 112.425 -0.27 . . . . 0.0 112.425 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.6 p -99.55 134.9 41.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.937 0.399 . . . . 0.0 110.85 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -38.77 -50.45 1.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.793 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.06 68.96 1.44 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.517 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.0 m -95.15 161.9 13.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.885 0.374 . . . . 0.0 110.831 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -118.51 174.11 6.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.86 145.87 5.29 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.496 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.81 2.85 3.19 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.714 2.276 . . . . 0.0 112.351 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.0 ttp85 -93.2 90.56 6.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 35.3 tttp -120.25 84.87 2.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 48.11 40.19 13.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.104 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.9 m 47.71 40.24 11.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.807 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -73.42 -40.62 64.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.811 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.0 mttm -165.64 162.82 13.11 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.568 0.699 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 165.47 30.88 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.742 2.295 . . . . 0.0 112.282 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 17' ' ' ARG . 54.1 Cg_endo -69.81 -28.43 25.0 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.697 2.265 . . . . 0.0 112.321 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 16' ' ' PRO . 52.6 mtt180 -38.21 -62.63 0.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -83.06 100.23 10.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -146.68 113.48 6.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.481 ' HB2' ' CB ' ' A' ' 58' ' ' TRP . 25.5 m -117.98 146.87 43.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.7 m -151.81 153.05 33.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.836 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.499 ' CB ' ' CD ' ' A' ' 65' ' ' GLN . . . -117.42 108.23 15.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.122 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.538 HG21 HG21 ' A' ' 142' ' ' VAL . 9.0 t -104.91 146.26 29.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.442 ' HB2' HD11 ' A' ' 69' ' ' LEU . 31.2 t -127.03 161.92 27.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.828 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 95.4 t -115.12 111.08 34.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.101 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 38.6 tp -96.4 117.73 31.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.927 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.405 ' HG2' ' N ' ' A' ' 28' ' ' GLN . 13.1 tt0 -123.7 144.8 49.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.878 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.405 ' N ' ' HG2' ' A' ' 27' ' ' GLU . 0.8 OUTLIER -127.31 128.96 23.98 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.647 0.736 . . . . 0.0 110.863 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 119.31 6.28 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.685 2.256 . . . . 0.0 112.358 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -125.64 -173.06 13.55 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.459 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.44 -54.9 40.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.84 0.352 . . . . 0.0 111.096 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 34.0 mt -52.93 -50.18 64.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.06 -66.59 0.15 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -170.1 135.39 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.746 0.307 . . . . 0.0 111.065 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -125.95 141.79 51.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.856 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.658 HD12 ' HE1' ' A' ' 53' ' ' PHE . 8.2 pt -105.71 173.91 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.119 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.513 HD13 ' NE1' ' A' ' 124' ' ' TRP . 42.6 tp -108.76 137.62 46.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.435 ' CD2' ' HB3' ' A' ' 51' ' ' TRP . 9.8 tp -133.44 124.89 27.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.2 m -112.06 137.28 45.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -76.36 152.67 36.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.907 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 -82.58 156.85 68.02 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.611 0.719 . . . . 0.0 110.859 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 153.87 68.46 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.661 2.24 . . . . 0.0 112.4 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -77.18 171.85 14.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.853 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.2 m 57.3 42.98 24.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.414 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . -160.73 168.55 36.19 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.524 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.3 mt -43.48 136.53 3.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.893 0.378 . . . . 0.0 110.94 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.427 ' O ' HD23 ' A' ' 50' ' ' LEU . 6.0 mp 44.82 48.95 9.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.414 ' HB2' ' O ' ' A' ' 45' ' ' GLY . . . -66.35 121.33 15.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.08 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.732 ' C ' HD22 ' A' ' 50' ' ' LEU . . . 94.42 42.43 3.96 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.48 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.732 HD22 ' C ' ' A' ' 49' ' ' GLY . 4.3 mm? -132.28 142.22 49.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 0.0 110.852 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.435 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 83.1 m95 -81.41 146.0 30.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -174.22 160.14 3.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.696 ' CZ ' ' CE1' ' A' ' 130' ' ' PHE . 22.0 m-85 -68.7 149.42 97.95 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.655 0.74 . . . . 0.0 110.86 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 143.31 50.33 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.673 2.249 . . . . 0.0 112.33 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 99.0 p -143.69 165.44 27.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.85 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 18.2 m -128.13 178.36 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.169 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.8 p -65.41 149.36 50.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.167 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.481 ' CB ' ' HB2' ' A' ' 20' ' ' SER . 88.9 t90 -68.62 147.1 52.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.861 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -132.92 134.87 25.02 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.6 0.714 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 -23.47 31.15 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.639 2.226 . . . . 0.0 112.387 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.1 t -100.54 130.69 46.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.427 ' HG2' ' N ' ' A' ' 63' ' ' GLN . 0.3 OUTLIER -50.93 -36.58 39.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.475 ' O ' ' N ' ' A' ' 66' ' ' ARG . 7.3 tp60 -72.39 -67.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 63' ' ' GLN . 6.8 mp -34.25 -42.48 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.499 ' CD ' ' CB ' ' A' ' 22' ' ' ALA . 3.7 tp-100 -58.36 -48.76 79.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 63' ' ' GLN . 20.1 mtt180 -71.46 -39.64 70.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.7 mttm -55.42 -46.21 76.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.84 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -82.59 -36.61 26.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.442 HD11 ' HB2' ' A' ' 24' ' ' CYS . 50.4 tp -46.82 -51.94 15.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.912 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.545 HD22 ' HB3' ' A' ' 80' ' ' LEU . 76.6 mt -68.82 -43.95 74.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -41.15 -45.8 2.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -71.0 -60.53 2.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.9 mt -38.22 -55.28 1.33 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -46.13 -43.22 14.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.962 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -51.12 -32.75 23.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.85 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -86.09 -75.09 0.39 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -72.81 -71.62 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.075 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 150.06 -100.61 0.21 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.486 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.477 ' O ' HD22 ' A' ' 80' ' ' LEU . 53.4 Cg_endo -69.84 109.23 2.27 Favored 'Trans proline' 0 C--O 1.233 0.251 0 C-N-CA 122.688 2.259 . . . . 0.0 112.36 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.545 ' HB3' HD22 ' A' ' 70' ' ' LEU . 4.5 mm? -123.18 126.45 25.94 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.659 0.742 . . . . 0.0 110.88 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.401 ' HG2' HD21 ' A' ' 107' ' ' LEU . 53.8 Cg_endo -69.71 163.01 39.83 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.662 2.242 . . . . 0.0 112.389 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -102.97 -66.97 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.081 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 84' ' ' HIS . 90.1 m -45.67 -56.71 4.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.443 ' C ' ' O ' ' A' ' 83' ' ' THR . 18.6 m170 -34.06 -57.05 0.48 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.435 HD21 HD23 ' A' ' 69' ' ' LEU . 63.5 tp -39.06 135.97 0.86 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.0 mtp85 -157.62 130.29 7.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.425 ' HB2' ' CE1' ' A' ' 105' ' ' TYR . 19.2 t-80 -69.97 123.3 21.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 29.6 mt -128.27 97.85 4.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 65.81 -173.49 22.1 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.456 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -147.98 171.04 16.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.861 0.362 . . . . 0.0 110.856 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.444 HG23 ' CG2' ' A' ' 104' ' ' VAL . 74.0 t -141.56 106.56 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.158 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' ' 100' ' ' LEU . 93.5 t -120.8 107.58 20.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -99.06 117.25 33.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 24.7 m -82.44 128.69 34.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.166 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -105.28 174.79 5.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 34.6 m -46.68 -68.91 0.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -119.72 27.13 8.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.409 HG22 ' N ' ' A' ' 99' ' ' LYS . 56.9 mt -143.35 152.92 16.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.409 ' N ' HG22 ' A' ' 98' ' ' ILE . 50.7 tttt -135.06 113.03 11.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.605 ' O ' HG13 ' A' ' 92' ' ' VAL . 4.0 mm? -99.75 139.04 36.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.534 ' HA ' HG22 ' A' ' 92' ' ' VAL . 99.1 m -127.12 99.75 5.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.158 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -98.55 147.5 24.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -109.62 116.18 31.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.444 ' CG2' HG23 ' A' ' 91' ' ' VAL . 84.7 t -72.78 124.4 29.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.176 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.425 ' CE1' ' HB2' ' A' ' 87' ' ' HIS . 28.5 m-85 -132.33 130.4 40.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -103.72 140.64 14.99 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.491 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.485 ' C ' HD13 ' A' ' 107' ' ' LEU . 1.0 OUTLIER -155.95 106.41 2.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.813 0.339 . . . . 0.0 110.909 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -126.03 141.41 51.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.086 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.669 HD22 ' HB2' ' A' ' 112' ' ' GLN . 78.6 mt -80.03 104.29 10.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.956 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -64.74 -57.26 9.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -155.03 44.73 0.55 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.479 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.669 ' HB2' HD22 ' A' ' 109' ' ' LEU . 9.2 mm100 -100.15 -175.11 2.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.859 0.361 . . . . 0.0 110.866 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 74.9 p -74.38 143.49 79.72 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.596 0.712 . . . . 0.0 111.12 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.406 ' HB2' HG23 ' A' ' 116' ' ' THR . 54.0 Cg_endo -69.8 165.9 29.47 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.716 2.277 . . . . 0.0 112.35 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.434 ' O ' ' C ' ' A' ' 116' ' ' THR . 7.2 p -98.79 -40.55 9.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.155 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 115' ' ' VAL . 30.0 p 35.33 36.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 90.1 m -152.56 143.05 22.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.219 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.712 ' CG2' ' HB3' ' A' ' 122' ' ' ALA . 14.3 p -168.6 134.17 1.47 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.649 0.738 . . . . 0.0 111.149 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.401 ' HD2' HG23 ' A' ' 118' ' ' VAL . 53.5 Cg_endo -69.83 170.05 17.57 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.655 2.237 . . . . 0.0 112.327 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 3.26 2.86 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.752 2.302 . . . . 0.0 112.378 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -115.45 20.31 13.87 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.486 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.712 ' HB3' ' CG2' ' A' ' 118' ' ' VAL . . . -142.61 160.54 40.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.747 0.308 . . . . 0.0 111.114 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -144.51 138.81 27.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' TRP . . . . . 0.513 ' NE1' HD13 ' A' ' 37' ' ' LEU . 33.7 m95 -106.11 107.49 18.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.947 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.7 pp -124.72 170.24 11.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 34.2 p -77.62 174.0 11.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.128 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -62.94 -45.75 90.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -63.21 -63.82 1.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -37.98 -44.11 0.77 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.878 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.696 ' CE1' ' CZ ' ' A' ' 53' ' ' PHE . 19.6 t80 -49.54 -58.54 5.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.951 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' HIS . . . . . 0.427 ' C ' ' O ' ' A' ' 130' ' ' PHE . 21.0 m-70 -35.74 -58.24 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.89 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 48.8 p -60.59 -43.48 97.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.162 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.822 ' O ' HG23 ' A' ' 135' ' ' VAL . . . -44.75 130.03 7.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.096 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -54.78 102.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.084 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.822 HG23 ' O ' ' A' ' 133' ' ' ALA . 11.3 t -132.62 145.76 33.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.074 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 8.2 t -65.07 144.64 57.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.879 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 99.7 m -40.57 -63.73 0.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.152 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -42.58 -65.64 0.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.079 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' MET . . . . . 0.642 ' HB2' HG12 ' A' ' 135' ' ' VAL . 40.9 mmm -46.61 -51.81 14.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.871 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.436 ' CG ' ' HB ' ' A' ' 135' ' ' VAL . 17.5 mtpt -51.12 -34.9 32.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.429 ' HA ' ' CD ' ' A' ' 144' ' ' ARG . 18.8 mtpp -73.54 -34.3 65.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.538 HG21 HG21 ' A' ' 23' ' ' THR . 79.2 t -51.91 -29.73 11.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.163 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.461 ' O ' ' N ' ' A' ' 146' ' ' TYR . 64.8 t80 -75.08 -66.9 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.437 ' HB3' ' NH1' ' A' ' 144' ' ' ARG . 1.2 ptp180 -41.57 -42.12 2.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.821 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 58.0 t -64.69 -34.88 72.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' TYR . . . . . 0.461 ' N ' ' O ' ' A' ' 143' ' ' PHE . 2.2 t80 -71.61 -52.91 15.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 147' ' ' GLN . . . . . 0.433 ' O ' ' C ' ' A' ' 148' ' ' GLY . 7.1 mm-40 -45.03 -41.84 7.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.942 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 148' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 147' ' ' GLN . . . -34.44 -41.82 0.26 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.424 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 28.4 mp0 -121.45 95.68 4.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.803 0.335 . . . . 0.0 110.877 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 3.6 m -151.57 125.83 9.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.414 ' HA2' ' HD2' ' A' ' 152' ' ' PRO . . . -171.0 101.23 0.16 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 152' ' ' PRO . . . . . 0.414 ' HD2' ' HA2' ' A' ' 151' ' ' GLY . 52.7 Cg_endo -69.8 2.13 3.83 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.753 2.302 . . . . 0.0 112.329 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 31.9 t -44.05 158.05 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 40.0 m -72.78 155.12 40.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.514 179.968 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.9 p -136.55 167.8 20.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.823 0.344 . . . . 0.0 110.855 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -120.03 131.27 55.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.86 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.49 112.7 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.535 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.9 t -169.04 120.85 0.76 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.936 0.398 . . . . 0.0 110.83 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.7 p -107.24 82.33 1.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.6 -102.42 1.79 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.507 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.74 -175.91 1.31 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.661 2.24 . . . . 0.0 112.379 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.6 tpp180 -84.43 153.23 23.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -90.52 -47.76 7.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -45.91 -42.27 12.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.6 p -66.51 -40.77 89.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.8 mtm180 62.14 38.05 14.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp -127.18 156.91 73.85 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.569 0.699 . . . . 0.0 110.959 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 163.06 39.72 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.64 2.227 . . . . 0.0 112.401 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.4 Cg_endo -69.8 -43.09 2.83 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.653 2.236 . . . . 0.0 112.31 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 16' ' ' PRO . 11.1 mmt85 -34.31 -68.05 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.942 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -80.58 100.32 8.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -143.5 113.56 7.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.816 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.0 m -125.59 146.26 49.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.9 m -153.46 157.4 39.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.416 ' HB2' ' CD ' ' A' ' 65' ' ' GLN . . . -112.88 115.02 27.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.092 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.533 HG21 HG21 ' A' ' 142' ' ' VAL . 10.0 t -110.82 145.56 37.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.527 ' HB2' HD21 ' A' ' 69' ' ' LEU . 45.8 t -130.19 158.06 40.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.1 t -108.18 122.53 62.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.077 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.502 HD13 HD11 ' A' ' 80' ' ' LEU . 60.9 tp -106.22 116.57 32.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.835 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.474 ' HB2' HG22 ' A' ' 36' ' ' ILE . 31.7 tt0 -125.37 139.33 53.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -130.18 121.97 19.9 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.602 0.715 . . . . 0.0 110.902 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 127.29 14.38 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.638 2.225 . . . . 0.0 112.407 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -122.19 -166.88 12.91 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.47 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.2 -44.22 97.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.781 0.324 . . . . 0.0 111.07 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.2 mt -70.52 -42.39 71.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.07 -96.59 0.11 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.491 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -164.64 119.56 1.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.686 0.279 . . . . 0.0 111.107 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -112.08 164.2 13.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.474 HG22 ' HB2' ' A' ' 27' ' ' GLU . 3.9 pt -109.68 176.53 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.168 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.413 HD13 ' NE1' ' A' ' 124' ' ' TRP . 11.7 tp -109.45 142.95 39.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.979 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.456 HD23 ' HB3' ' A' ' 51' ' ' TRP . 10.1 tp -137.41 129.48 29.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.6 m -114.34 147.19 17.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.097 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -103.13 173.46 6.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.97 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.5 mmt85 -107.37 156.7 37.23 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.593 0.711 . . . . 0.0 110.82 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -176.33 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.672 2.248 . . . . 0.0 112.365 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 69.0 m-20 -86.04 83.46 7.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.51 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 2.1 m -174.01 149.5 1.49 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.47 -158.82 23.0 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.428 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.496 ' CD2' ' N ' ' A' ' 46' ' ' LEU . 0.2 OUTLIER -109.61 -44.51 3.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.875 0.369 . . . . 0.0 110.979 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.9 mt -94.9 44.74 1.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.945 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' A' ' 44' ' ' SER . . . -89.0 163.73 15.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.522 ' C ' HD22 ' A' ' 50' ' ' LEU . . . 78.4 26.81 58.71 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.516 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.522 HD22 ' C ' ' A' ' 49' ' ' GLY . 3.0 mm? -115.69 158.43 22.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.82 0.343 . . . . 0.0 110.919 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.496 ' CE3' ' CD ' ' A' ' 123' ' ' ARG . 86.4 m95 -110.41 113.29 25.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.462 ' CB ' ' HG3' ' A' ' 139' ' ' MET . 2.6 pm0 -138.24 176.39 8.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.837 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.527 ' CZ ' ' CE2' ' A' ' 130' ' ' PHE . 12.8 m-85 -75.51 150.58 84.72 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.638 0.733 . . . . 0.0 110.871 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 143.06 49.84 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.718 2.278 . . . . 0.0 112.365 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 89.4 p -146.61 159.99 42.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.58 HG12 ' CB ' ' A' ' 72' ' ' GLU . 10.3 m -124.02 179.63 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.106 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 29.6 p -64.83 136.41 56.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.491 ' CG ' ' N ' ' A' ' 59' ' ' GLU . 78.7 t90 -56.86 169.29 0.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.92 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.491 ' N ' ' CG ' ' A' ' 58' ' ' TRP . 7.5 mm-40 -152.61 135.69 9.5 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.649 0.738 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.443 ' HA ' ' CH2' ' A' ' 58' ' ' TRP . 53.5 Cg_endo -69.71 -19.89 35.77 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.682 2.255 . . . . 0.0 112.344 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -96.67 154.36 17.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.846 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -75.48 -27.75 58.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 43.6 tp60 -85.86 -57.43 3.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.9 mp -42.9 -39.48 2.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.416 ' CD ' ' HB2' ' A' ' 22' ' ' ALA . 18.7 tp60 -54.3 -51.21 65.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 55.1 mtt180 -70.05 -43.68 70.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -43.08 -49.16 6.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 70' ' ' LEU . . . -81.76 -53.17 6.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.109 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.547 HD23 HD21 ' A' ' 85' ' ' LEU . 59.3 tp -34.3 -34.72 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.661 HD22 ' HB3' ' A' ' 80' ' ' LEU . 68.1 mt -86.94 -49.89 7.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' ' 68' ' ' ALA . 2.8 pt20 -41.03 -34.62 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.58 ' CB ' HG12 ' A' ' 56' ' ' VAL . 2.6 tp10 -77.64 -57.49 3.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 18.0 mt -39.74 -49.09 2.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -51.62 -47.79 63.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 31.7 mtp180 -49.19 -27.1 3.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 90.1 m95 -90.37 -72.91 0.55 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.409 ' CA ' HG21 ' A' ' 115' ' ' VAL . . . -79.05 -70.04 0.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.099 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 155.21 -104.87 0.26 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.507 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.554 ' O ' HD22 ' A' ' 80' ' ' LEU . 54.3 Cg_endo -69.69 119.6 6.52 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.644 2.23 . . . . 0.0 112.418 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.661 ' HB3' HD22 ' A' ' 70' ' ' LEU . 4.3 mm? -127.35 131.3 23.77 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.579 0.704 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.908 ' HG2' HD21 ' A' ' 107' ' ' LEU . 53.8 Cg_endo -69.71 179.21 3.83 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.7 2.266 . . . . 0.0 112.347 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -124.97 -61.21 1.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 40.9 p -54.0 -49.53 68.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 30.6 m170 -46.98 -47.74 21.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.547 HD21 HD23 ' A' ' 69' ' ' LEU . 47.4 tp -44.45 134.16 5.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.955 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 56.0 mtt180 -156.44 133.36 10.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 105' ' ' TYR . 22.1 t-80 -73.45 125.91 28.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.583 HD13 ' HB2' ' A' ' 149' ' ' GLN . 21.6 mt -128.04 95.11 4.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.954 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.429 ' O ' ' NE2' ' A' ' 87' ' ' HIS . . . 70.65 -174.95 38.31 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.453 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.401 ' HA ' HG23 ' A' ' 104' ' ' VAL . 3.7 pt-20 -147.76 168.75 21.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.848 0.356 . . . . 0.0 110.93 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.552 HG23 ' CG2' ' A' ' 104' ' ' VAL . 76.2 t -137.35 106.1 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.189 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.463 HG22 ' HA ' ' A' ' 101' ' ' THR . 54.2 t -119.05 103.08 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.079 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 21.1 t60 -98.58 111.09 23.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 27.8 m -82.49 109.73 16.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -81.44 -175.93 5.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.8 m -54.47 -67.02 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -119.43 25.8 9.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 46.6 mt -142.28 147.83 20.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.107 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 51.5 tttt -127.23 110.0 12.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -98.29 140.04 33.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.95 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.463 ' HA ' HG22 ' A' ' 92' ' ' VAL . 91.0 m -128.85 102.8 6.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.163 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -103.33 147.68 26.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.97 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -109.93 113.14 25.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.552 ' CG2' HG23 ' A' ' 91' ' ' VAL . 60.8 t -71.63 124.32 27.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.57 ' CE1' ' HB2' ' A' ' 87' ' ' HIS . 24.1 m-85 -131.08 138.54 49.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.944 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -107.47 142.69 15.84 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.517 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.908 HD21 ' HG2' ' A' ' 81' ' ' PRO . 1.7 tm? -161.69 125.81 3.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.835 0.35 . . . . 0.0 110.847 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.7 ' N ' HD13 ' A' ' 107' ' ' LEU . . . -145.21 158.25 43.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.177 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 87.3 mt -96.36 120.0 35.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 111' ' ' GLY . 6.4 pt-20 -68.6 -35.0 76.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.418 ' N ' ' HG3' ' A' ' 110' ' ' GLU . . . 146.91 70.26 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.536 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 -115.84 -73.13 0.66 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.908 0.385 . . . . 0.0 110.883 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 23.0 p -148.47 137.91 12.35 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.558 0.694 . . . . 0.0 111.14 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.7 170.72 15.84 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.742 2.295 . . . . 0.0 112.412 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.48 ' O ' ' N ' ' A' ' 117' ' ' THR . 7.7 p -100.84 -39.82 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.449 ' C ' ' O ' ' A' ' 115' ' ' VAL . 25.5 p 33.83 34.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.159 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.48 ' N ' ' O ' ' A' ' 115' ' ' VAL . 18.4 m -155.38 129.76 8.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.556 HG23 ' HD2' ' A' ' 119' ' ' PRO . 8.4 p -164.93 137.44 3.59 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.584 0.707 . . . . 0.0 111.114 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.556 ' HD2' HG23 ' A' ' 118' ' ' VAL . 53.6 Cg_endo -69.76 164.26 35.22 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.644 2.229 . . . . 0.0 112.346 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 2.77 3.21 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.67 2.247 . . . . 0.0 112.374 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -107.72 22.31 28.41 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.468 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.418 ' HB3' ' CG2' ' A' ' 118' ' ' VAL . . . -146.06 173.07 12.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.777 0.323 . . . . 0.0 111.113 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.496 ' CD ' ' CE3' ' A' ' 51' ' ' TRP . 14.0 ptm180 -155.14 139.23 16.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' TRP . . . . . 0.413 ' NE1' HD13 ' A' ' 37' ' ' LEU . 33.8 m95 -103.33 103.58 13.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.456 HD23 ' NE ' ' A' ' 123' ' ' ARG . 1.3 pp -121.57 167.88 12.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 7.9 p -79.45 163.92 24.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.159 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -53.95 -42.74 69.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -65.63 -54.24 30.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.909 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -47.3 -34.41 6.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.928 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.527 ' CE2' ' CZ ' ' A' ' 53' ' ' PHE . 4.0 t80 -64.73 -56.79 11.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 130' ' ' PHE . 8.4 m-70 -37.56 -54.02 1.17 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 74.9 p -69.75 -46.22 66.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.597 ' O ' HG23 ' A' ' 135' ' ' VAL . . . -39.37 144.77 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.162 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.56 104.81 1.07 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.104 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.639 HG12 ' HB2' ' A' ' 139' ' ' MET . 2.6 t -132.82 149.42 31.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.183 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 36.1 m -67.96 151.19 47.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.82 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 97.8 m -46.81 -55.6 7.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.134 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -50.82 -66.35 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.158 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' MET . . . . . 0.639 ' HB2' HG12 ' A' ' 135' ' ' VAL . 38.0 mmm -46.32 -47.97 18.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.947 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 14.6 mtpt -50.4 -34.83 25.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.872 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 19.7 mttp -74.42 -34.41 63.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.533 HG21 HG21 ' A' ' 23' ' ' THR . 35.7 t -54.81 -16.77 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.14 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.575 ' CE1' ' HG3' ' A' ' 147' ' ' GLN . 46.2 t80 -91.65 -69.38 0.74 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.56 ' HD2' HG23 ' A' ' 145' ' ' VAL . 0.0 OUTLIER -40.0 -33.31 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.819 -179.846 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.56 HG23 ' HD2' ' A' ' 144' ' ' ARG . 77.9 t -75.26 -41.25 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.077 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 146' ' ' TYR . . . . . 0.445 ' N ' ' O ' ' A' ' 143' ' ' PHE . 2.0 t80 -69.49 -32.47 71.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.944 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 147' ' ' GLN . . . . . 0.575 ' HG3' ' CE1' ' A' ' 143' ' ' PHE . 37.9 mm-40 -56.79 -51.97 66.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 148' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 147' ' ' GLN . . . -34.18 -39.3 0.13 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.459 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 149' ' ' GLN . . . . . 0.583 ' HB2' HD13 ' A' ' 88' ' ' LEU . 23.5 mp0 -114.54 105.64 13.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.753 0.311 . . . . 0.0 110.9 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 30.8 t -162.59 119.22 1.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.408 ' HA2' ' HD2' ' A' ' 152' ' ' PRO . . . -98.43 111.81 4.32 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.465 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 152' ' ' PRO . . . . . 0.408 ' HD2' ' HA2' ' A' ' 151' ' ' GLY . 53.6 Cg_endo -69.77 -48.01 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.716 2.278 . . . . 0.0 112.301 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 23.0 m -115.68 -55.66 2.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.902 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 58.2 m -86.77 94.86 9.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.515 -179.943 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.451 -0.259 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.9 p -68.98 97.56 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.901 0.382 . . . . 0.0 110.876 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.5 m -79.56 101.38 8.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.933 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.12 65.03 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.448 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 t -66.19 138.83 57.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.847 0.356 . . . . 0.0 110.863 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -113.47 -54.81 2.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.864 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.52 -148.2 23.19 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.484 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -37.98 8.59 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.737 2.291 . . . . 0.0 112.407 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.8 mmt85 -143.99 153.58 42.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.415 ' HE2' ' C ' ' A' ' 10' ' ' LYS . 0.2 OUTLIER -38.77 -71.46 0.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.83 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.81 116.03 18.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.063 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.9 m -74.55 78.54 1.96 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.3 mmm180 -96.72 -50.58 4.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -139.32 153.07 70.64 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.529 0.68 . . . . 0.0 110.923 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 167.14 25.31 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.711 2.274 . . . . 0.0 112.27 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.5 Cg_endo -69.87 -28.52 24.63 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.596 2.198 . . . . 0.0 112.344 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 16' ' ' PRO . 40.6 mtp180 -37.29 -60.76 0.64 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -87.32 100.3 12.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.802 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -144.04 113.6 7.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.5 m -121.5 143.5 49.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.4 m -147.77 154.5 40.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.498 ' CB ' ' OE1' ' A' ' 65' ' ' GLN . . . -116.45 111.55 20.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.067 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.5 t -108.25 145.61 34.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.196 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.443 ' HB2' HD21 ' A' ' 69' ' ' LEU . 34.2 t -128.28 160.14 33.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 96.6 t -114.52 107.68 23.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.163 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.2 tp -91.55 126.92 36.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.56 ' HB2' HG22 ' A' ' 36' ' ' ILE . 29.5 tt0 -147.23 157.88 43.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -146.8 151.02 41.21 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.59 0.71 . . . . 0.0 110.92 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 119.81 6.7 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.658 2.239 . . . . 0.0 112.362 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -111.11 -150.75 11.99 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.548 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.68 -57.73 2.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.869 0.366 . . . . 0.0 111.114 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.2 mt -65.61 -44.7 85.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.91 -76.67 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.454 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -170.68 142.59 2.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.66 0.267 . . . . 0.0 111.131 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.43 ' HG3' ' C ' ' A' ' 125' ' ' LEU . 36.4 tt0 -124.25 130.56 52.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.938 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.56 HG22 ' HB2' ' A' ' 27' ' ' GLU . 5.7 pt -95.38 177.02 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.194 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.742 HD13 ' NE1' ' A' ' 124' ' ' TRP . 32.2 tp -109.8 142.54 40.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.947 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.573 ' CD2' HD21 ' A' ' 125' ' ' LEU . 10.0 tp -138.62 121.3 16.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.976 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.0 m -109.53 169.81 3.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.065 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.478 ' HG3' ' CE3' ' A' ' 51' ' ' TRP . 45.2 mt-30 -104.01 163.87 12.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.946 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -102.54 161.3 23.67 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.65 0.738 . . . . 0.0 110.852 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 172.36 12.79 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.718 2.278 . . . . 0.0 112.325 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 36.9 m-20 -76.8 103.55 6.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.1 t -92.74 -59.51 2.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.833 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 174.33 -98.36 0.13 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.505 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 32.6 mt -70.33 -59.03 3.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.812 0.339 . . . . 0.0 110.895 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 48.5 tp -100.19 95.07 6.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.963 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -143.43 163.1 34.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.58 37.81 57.86 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.502 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -98.53 173.91 6.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.777 0.322 . . . . 0.0 110.922 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.625 ' O ' HG13 ' A' ' 135' ' ' VAL . 98.1 m95 -107.21 110.64 22.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.511 ' N ' ' CD ' ' A' ' 52' ' ' GLU . 0.8 OUTLIER -143.57 165.7 26.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.581 ' CZ ' ' CZ ' ' A' ' 130' ' ' PHE . 22.2 m-85 -71.83 151.94 93.2 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.686 0.755 . . . . 0.0 110.825 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 142.09 46.73 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.686 2.257 . . . . 0.0 112.288 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.8 p -145.94 161.56 39.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.817 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.412 ' CG1' ' HB2' ' A' ' 72' ' ' GLU . 12.2 m -124.42 174.84 7.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.156 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 29.1 p -62.05 143.46 56.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.115 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.428 ' CG ' ' N ' ' A' ' 59' ' ' GLU . 72.0 t90 -57.72 167.69 1.05 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.428 ' N ' ' CG ' ' A' ' 58' ' ' TRP . 55.0 mm-40 -156.85 132.26 5.6 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.66 0.743 . . . . 0.0 110.883 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 -19.47 35.69 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.68 2.253 . . . . 0.0 112.302 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -104.92 126.93 52.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.401 ' HG2' ' N ' ' A' ' 63' ' ' GLN . 3.1 pt-20 -49.93 -35.35 23.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.922 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.401 ' N ' ' HG2' ' A' ' 62' ' ' GLU . 19.2 tt0 -72.34 -66.58 0.63 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.0 mp -38.05 -38.25 0.31 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.498 ' OE1' ' CB ' ' A' ' 22' ' ' ALA . 3.3 tp-100 -62.55 -53.55 53.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.524 ' HG2' HD21 ' A' ' 85' ' ' LEU . 74.3 mtm180 -65.27 -42.31 93.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -54.31 -49.6 69.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.95 -38.17 57.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.443 HD21 ' HB2' ' A' ' 24' ' ' CYS . 47.1 tp -49.43 -60.3 2.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.957 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.63 HD22 ' HB3' ' A' ' 80' ' ' LEU . 87.4 mt -55.77 -54.57 42.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 70' ' ' LEU . 31.7 mm-40 -35.82 -41.64 0.23 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.412 ' HB2' ' CG1' ' A' ' 56' ' ' VAL . 20.4 tp10 -71.87 -55.62 7.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 24.2 mt -44.63 -46.89 10.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -54.43 -44.66 72.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -53.44 -30.14 38.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.5 ' CE3' ' HB2' ' A' ' 122' ' ' ALA . 91.9 m95 -88.21 -69.44 0.7 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.692 ' HB1' HG21 ' A' ' 115' ' ' VAL . . . -79.82 -72.35 0.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.085 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 155.39 -105.21 0.27 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.446 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.548 ' O ' HD22 ' A' ' 80' ' ' LEU . 53.5 Cg_endo -69.7 115.11 3.93 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.735 2.29 . . . . 0.0 112.339 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.63 ' HB3' HD22 ' A' ' 70' ' ' LEU . 4.3 mm? -124.95 133.45 24.82 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.652 0.739 . . . . 0.0 110.918 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.716 ' HG2' HD21 ' A' ' 107' ' ' LEU . 54.3 Cg_endo -69.74 178.94 4.06 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.607 2.205 . . . . 0.0 112.393 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -118.76 -64.01 1.33 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.014 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 84' ' ' HIS . 66.7 p -56.85 -50.0 73.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.187 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.44 ' C ' ' O ' ' A' ' 83' ' ' THR . 14.2 m-70 -34.69 -54.42 0.55 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.524 HD21 ' HG2' ' A' ' 66' ' ' ARG . 55.7 tp -42.65 140.97 1.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.952 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 26.3 ptt-85 -160.64 131.76 5.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.959 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 33.2 t-80 -68.47 122.4 18.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 19.9 mt -128.8 93.77 3.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.958 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 65.81 -178.19 12.56 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.477 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -145.22 171.23 14.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.906 0.384 . . . . 0.0 110.89 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 57.0 t -143.25 115.8 3.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.645 HG22 ' HA ' ' A' ' 101' ' ' THR . 65.2 t -125.42 113.2 34.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.216 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 61.7 t60 -99.55 112.08 24.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 32.1 m -81.42 101.91 10.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.443 ' CD2' HD23 ' A' ' 100' ' ' LEU . 32.4 m-85 -71.77 -179.59 2.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 71.4 m -59.06 -52.22 66.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.821 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.424 ' C ' HG13 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -130.57 24.38 5.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.449 HG22 ' N ' ' A' ' 99' ' ' LYS . 43.3 mt -143.5 155.18 16.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.449 ' N ' HG22 ' A' ' 98' ' ' ILE . 19.0 tttp -130.03 115.02 16.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.63 ' O ' HG13 ' A' ' 92' ' ' VAL . 4.3 mm? -102.5 135.57 43.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.99 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.645 ' HA ' HG22 ' A' ' 92' ' ' VAL . 89.6 m -122.84 97.84 5.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.119 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -96.15 152.68 18.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.949 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -115.29 114.36 25.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.889 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.611 HG13 HG13 ' A' ' 142' ' ' VAL . 58.2 t -74.38 124.77 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.196 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -133.93 136.65 44.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -112.38 125.5 7.16 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.505 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.716 HD21 ' HG2' ' A' ' 81' ' ' PRO . 2.1 tm? -134.95 103.42 5.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.363 . . . . 0.0 110.958 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -119.63 129.09 54.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.066 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.506 HD22 ' HB2' ' A' ' 112' ' ' GLN . 67.9 mt -75.18 101.54 4.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -69.46 -44.28 71.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -161.79 47.26 0.36 Allowed Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.47 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.506 ' HB2' HD22 ' A' ' 109' ' ' LEU . 38.8 mm-40 -105.36 -176.65 3.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.929 0.395 . . . . 0.0 110.918 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 36.7 p -69.08 143.47 94.27 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.508 0.67 . . . . 0.0 111.194 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 168.68 20.88 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.676 2.251 . . . . 0.0 112.344 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.692 HG21 ' HB1' ' A' ' 77' ' ' ALA . 7.6 p -110.85 -51.43 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.199 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.572 ' N ' HG13 ' A' ' 115' ' ' VAL . 3.3 t 31.95 38.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.123 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.487 ' H ' HG22 ' A' ' 115' ' ' VAL . 77.3 m -151.52 127.36 10.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.153 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.604 ' CG2' ' HB3' ' A' ' 122' ' ' ALA . 13.3 p -151.72 134.17 8.62 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.586 0.707 . . . . 0.0 111.102 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.435 ' HD2' HG23 ' A' ' 118' ' ' VAL . 53.9 Cg_endo -69.71 169.75 18.12 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.672 2.248 . . . . 0.0 112.408 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 3.24 2.9 Favored 'Trans proline' 0 C--N 1.34 0.119 0 C-N-CA 122.635 2.224 . . . . 0.0 112.363 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -110.62 9.31 30.28 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.547 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.604 ' HB3' ' CG2' ' A' ' 118' ' ' VAL . . . -139.22 172.82 12.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.799 0.333 . . . . 0.0 111.064 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -151.99 141.52 21.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' TRP . . . . . 0.742 ' NE1' HD13 ' A' ' 37' ' ' LEU . 34.0 m95 -108.61 112.26 24.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.961 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.573 HD21 ' CD2' ' A' ' 38' ' ' LEU . 1.2 pp -128.48 168.09 16.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 17.6 p -79.86 160.18 26.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.148 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -50.24 -44.75 53.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -61.51 -48.23 82.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -52.86 -44.85 67.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.867 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.705 ' CE1' HG21 ' A' ' 135' ' ' VAL . 36.4 t80 -51.42 -59.95 3.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' HIS . . . . . 0.434 ' C ' ' O ' ' A' ' 130' ' ' PHE . 16.7 m-70 -35.48 -61.21 0.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 59.0 p -66.79 -26.49 66.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.18 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.916 ' O ' HG23 ' A' ' 135' ' ' VAL . . . -59.84 128.84 38.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.072 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -56.01 102.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.916 HG23 ' O ' ' A' ' 133' ' ' ALA . 2.4 t -132.24 150.02 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.18 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 137' ' ' THR . 35.3 t -64.38 138.44 58.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.647 HG22 ' HE2' ' A' ' 141' ' ' LYS . 73.6 m -36.33 -66.1 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.143 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.437 ' HA ' ' CE ' ' A' ' 141' ' ' LYS . . . -39.78 -64.0 0.53 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.082 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' MET . . . . . 0.551 ' HB2' HG12 ' A' ' 135' ' ' VAL . 36.7 mmm -46.12 -48.23 17.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.423 ' HG2' ' HB ' ' A' ' 135' ' ' VAL . 7.4 mtpp -58.65 -33.54 70.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.647 ' HE2' HG22 ' A' ' 137' ' ' THR . 46.8 mtmt -70.28 -36.57 74.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.849 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.611 HG13 HG13 ' A' ' 104' ' ' VAL . 49.7 t -59.04 -28.26 38.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.16 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -67.56 -67.87 0.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -49.14 -30.73 7.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.455 HG11 HG21 ' A' ' 104' ' ' VAL . 33.1 t -72.25 -29.29 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -82.67 -37.48 24.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.957 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 148' ' ' GLY . 67.7 mt-30 -48.6 -40.52 27.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.902 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 148' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 147' ' ' GLN . . . -34.23 -66.82 0.27 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.48 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 68.2 mm-40 -91.5 81.34 5.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.833 0.349 . . . . 0.0 110.841 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 92.8 p -101.67 -16.51 16.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -93.48 143.23 16.39 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.433 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -5.27 15.83 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.684 2.256 . . . . 0.0 112.318 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 13.2 t -41.49 130.91 3.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.823 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 60.7 p -149.19 114.85 5.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.511 -179.926 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.245 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.1 p 44.15 42.63 5.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.895 0.379 . . . . 0.0 110.913 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.4 p -138.09 151.52 47.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.49 -149.24 8.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.407 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 m -58.08 144.04 41.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.892 0.377 . . . . 0.0 110.842 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.7 m -102.31 149.73 24.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.844 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.96 145.88 4.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.476 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -4.41 13.93 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.707 2.271 . . . . 0.0 112.387 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.39 -68.24 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.9 ptmm? -95.37 153.41 17.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 52.37 47.87 23.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.057 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.8 t -124.47 123.82 40.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.0 tpp180 -78.99 -49.65 12.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.1 mmtp -81.71 153.74 70.53 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.512 0.672 . . . . 0.0 110.944 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 169.37 19.12 Favored 'Trans proline' 0 N--CA 1.466 -0.136 0 C-N-CA 122.725 2.283 . . . . 0.0 112.285 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.4 Cg_endo -69.76 -24.43 29.7 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.648 2.232 . . . . 0.0 112.285 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 16' ' ' PRO . 62.3 mtm-85 -37.54 -61.23 0.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -87.37 100.29 12.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.853 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -139.47 113.47 8.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.964 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.416 ' C ' ' HB2' ' A' ' 58' ' ' TRP . 15.8 m -115.95 140.53 49.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.691 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.9 m -150.42 149.41 30.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -115.99 114.14 24.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.408 HG23 HG11 ' A' ' 142' ' ' VAL . 9.2 t -108.65 147.94 31.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.544 ' HB2' HD11 ' A' ' 69' ' ' LEU . 49.9 t -129.42 158.32 39.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 89.0 t -111.96 122.31 66.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.422 HD13 HD11 ' A' ' 80' ' ' LEU . 36.0 tp -103.85 120.5 41.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.973 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.463 ' HB3' ' HB2' ' A' ' 108' ' ' ALA . 18.6 tt0 -122.23 145.24 48.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.538 ' NE2' ' CE3' ' A' ' 124' ' ' TRP . 9.1 pt20 -139.37 153.46 70.88 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.623 0.725 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 132.19 22.84 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.694 2.263 . . . . 0.0 112.365 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -125.89 159.23 20.3 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.452 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.94 -29.1 7.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.832 0.348 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.669 HD23 ' N ' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -88.65 -32.75 17.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.949 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 166.33 -66.25 0.2 Allowed Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.463 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -163.52 155.64 17.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.744 0.307 . . . . 0.0 111.106 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -146.32 143.58 29.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.9 pt -106.01 172.82 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.204 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.2 tp -105.74 141.01 37.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.452 HD22 HD21 ' A' ' 125' ' ' LEU . 10.2 tp -138.92 121.6 16.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.859 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.525 HG12 ' HB2' ' A' ' 122' ' ' ALA . 21.7 m -113.18 130.05 67.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -105.55 142.09 35.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 56.5 mtm180 -81.33 138.65 48.39 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.628 0.727 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -0.8 7.5 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.637 2.225 . . . . 0.0 112.319 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.554 ' C ' ' HB1' ' A' ' 48' ' ' ALA . 61.4 t30 -66.14 151.46 46.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.3 t -131.69 140.32 49.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.835 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 119.81 -135.78 11.33 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.538 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 47' ' ' LEU . 13.3 mt -58.89 124.72 20.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.83 0.347 . . . . 0.0 110.963 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 46' ' ' LEU . 40.3 mt 36.28 45.11 0.32 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.93 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.554 ' HB1' ' C ' ' A' ' 43' ' ' ASN . . . -121.27 159.9 25.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 63.61 42.16 98.88 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.554 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.611 ' CD1' ' HB1' ' A' ' 134' ' ' ALA . 1.7 mm? -117.7 156.68 27.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.807 0.337 . . . . 0.0 110.92 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.539 ' O ' HG13 ' A' ' 135' ' ' VAL . 91.6 m95 -93.17 127.16 38.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -154.5 162.74 41.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.686 ' CZ ' ' CE1' ' A' ' 130' ' ' PHE . 22.7 m-85 -67.51 148.33 98.65 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.718 0.771 . . . . 0.0 110.877 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 143.8 52.09 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.691 2.26 . . . . 0.0 112.316 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 56.0 p -146.53 167.05 24.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.85 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.0 m -129.87 169.9 20.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.131 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.8 t -59.46 150.59 26.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.416 ' HB2' ' C ' ' A' ' 20' ' ' SER . 79.7 t90 -62.36 154.3 28.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -138.54 132.54 16.51 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.693 0.759 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -29.65 23.52 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.642 2.228 . . . . 0.0 112.393 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 t -93.31 128.83 39.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -49.78 -36.92 27.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.829 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 64' ' ' LEU . 31.3 tp60 -72.84 -67.58 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 63' ' ' GLN . 8.7 mp -34.38 -42.99 0.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.3 -58.07 9.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.962 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 56.6 mtp180 -62.31 -37.7 86.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -57.76 -59.13 5.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.34 -33.67 76.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.544 HD11 ' HB2' ' A' ' 24' ' ' CYS . 48.3 tp -54.33 -52.38 61.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.582 HD22 ' HB3' ' A' ' 80' ' ' LEU . 69.5 mt -64.4 -53.78 43.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 70' ' ' LEU . 13.7 mm-40 -35.29 -55.22 0.64 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -57.34 -50.77 71.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.7 mt -49.64 -50.04 44.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -52.4 -40.54 62.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -52.07 -32.66 35.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.487 ' CD2' HG11 ' A' ' 39' ' ' VAL . 82.8 m95 -86.04 -70.32 0.61 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.988 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.517 ' HB1' HG21 ' A' ' 115' ' ' VAL . . . -79.11 -71.19 0.45 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 149.91 -100.07 0.2 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.513 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.523 ' O ' HD22 ' A' ' 80' ' ' LEU . 53.8 Cg_endo -69.86 113.38 3.37 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.661 2.24 . . . . 0.0 112.373 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.582 ' HB3' HD22 ' A' ' 70' ' ' LEU . 4.3 mm? -125.15 136.85 28.71 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.629 0.728 . . . . 0.0 110.91 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.526 ' HG2' HD21 ' A' ' 107' ' ' LEU . 54.1 Cg_endo -69.73 -168.6 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.667 2.245 . . . . 0.0 112.32 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -131.41 -67.05 0.71 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 72.1 p -55.63 -40.7 72.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -43.75 -43.99 6.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.888 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.471 HD11 ' HB3' ' A' ' 105' ' ' TYR . 47.1 tp -53.8 130.82 38.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 58.0 mtt180 -149.38 127.28 11.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 -68.65 122.37 18.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.823 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 20.0 mt -125.96 91.17 3.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 71.67 -170.11 49.27 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.521 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -148.95 171.07 16.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.935 0.398 . . . . 0.0 110.837 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 43.3 t -142.27 107.23 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.146 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.593 HG22 HG23 ' A' ' 101' ' ' THR . 55.0 t -116.09 107.21 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.545 ' ND1' ' CE1' ' A' ' 95' ' ' PHE . 53.5 t-80 -101.71 146.6 27.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 31.4 m -111.43 115.73 29.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.128 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.545 ' CE1' ' ND1' ' A' ' 93' ' ' HIS . 29.1 m-85 -102.84 174.5 5.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.542 ' O ' ' N ' ' A' ' 98' ' ' ILE . 2.5 m -46.9 124.36 6.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.582 ' O ' ' CG ' ' A' ' 97' ' ' HIS . 2.9 p-80 35.24 29.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.542 ' N ' ' O ' ' A' ' 96' ' ' SER . 61.4 mt -146.61 151.12 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.103 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.1 ttpt -135.15 123.07 22.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -107.85 150.47 26.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.854 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.593 HG23 HG22 ' A' ' 92' ' ' VAL . 92.4 m -134.19 106.01 6.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -105.0 142.11 35.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 43.6 mm-40 -105.51 114.58 28.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.744 HG22 HG13 ' A' ' 142' ' ' VAL . 61.9 t -70.06 123.08 23.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.088 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.471 ' HB3' HD11 ' A' ' 85' ' ' LEU . 50.3 m-85 -130.97 133.98 46.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.965 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -103.19 149.89 17.6 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.462 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.703 HD13 ' N ' ' A' ' 108' ' ' ALA . 0.4 OUTLIER -167.33 123.85 1.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.887 0.375 . . . . 0.0 110.95 -179.889 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.703 ' N ' HD13 ' A' ' 107' ' ' LEU . . . -150.22 161.57 42.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.089 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.482 HD22 ' CD ' ' A' ' 112' ' ' GLN . 65.9 mt -105.98 102.09 11.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.883 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -47.1 -21.93 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 134.09 60.11 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.454 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.742 ' O ' HG23 ' A' ' 113' ' ' THR . 5.4 pt20 -100.99 -54.7 2.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.925 0.393 . . . . 0.0 110.961 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.742 HG23 ' O ' ' A' ' 112' ' ' GLN . 14.0 p -165.79 143.04 4.59 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.585 0.707 . . . . 0.0 111.15 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.61 178.15 4.77 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.774 2.316 . . . . 0.0 112.329 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.517 HG21 ' HB1' ' A' ' 77' ' ' ALA . 5.1 p -112.04 -37.0 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.156 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.453 ' C ' ' O ' ' A' ' 115' ' ' VAL . 7.7 p 34.01 38.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.122 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.405 ' N ' ' O ' ' A' ' 115' ' ' VAL . 24.4 m -154.64 121.77 5.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.403 ' O ' HG13 ' A' ' 118' ' ' VAL . 9.4 p -163.82 130.24 2.32 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.578 0.704 . . . . 0.0 111.123 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 168.43 21.54 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.634 2.223 . . . . 0.0 112.37 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -0.73 7.29 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.66 2.24 . . . . 0.0 112.343 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -100.63 4.36 56.49 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.493 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.525 ' HB2' HG12 ' A' ' 39' ' ' VAL . . . -135.68 169.11 18.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.761 0.315 . . . . 0.0 111.094 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.48 ' CZ ' ' HB2' ' A' ' 123' ' ' ARG . 2.9 ptm85 -153.06 146.23 24.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' TRP . . . . . 0.538 ' CE3' ' NE2' ' A' ' 28' ' ' GLN . 29.2 m95 -105.95 106.47 17.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.452 HD21 HD22 ' A' ' 38' ' ' LEU . 1.3 pp -120.81 169.17 10.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.928 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 10.2 p -81.8 171.03 15.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.163 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -60.23 -47.54 85.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -64.63 -40.53 95.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -59.77 -33.75 72.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.96 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.686 ' CE1' ' CZ ' ' A' ' 53' ' ' PHE . 4.8 t80 -61.92 -60.79 3.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' HIS . . . . . 0.441 ' C ' ' O ' ' A' ' 130' ' ' PHE . 19.1 m-70 -34.45 -58.07 0.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.825 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 82.2 p -62.79 -43.04 99.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.131 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.479 ' O ' HG23 ' A' ' 135' ' ' VAL . . . -40.56 148.95 0.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.611 ' HB1' ' CD1' ' A' ' 50' ' ' LEU . . . -70.05 95.28 0.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.169 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.544 HG12 ' HB2' ' A' ' 139' ' ' MET . 2.0 t -128.77 143.64 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 13.9 m -72.7 152.96 41.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.862 HG22 ' HD2' ' A' ' 141' ' ' LYS . 31.8 m -43.53 -65.72 0.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.149 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 137' ' ' THR . . . -34.56 -69.93 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.15 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' MET . . . . . 0.544 ' HB2' HG12 ' A' ' 135' ' ' VAL . 40.2 mmm -51.24 -44.52 61.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.43 ' CG ' ' HB ' ' A' ' 135' ' ' VAL . 53.6 mttt -59.73 -23.97 63.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.862 ' HD2' HG22 ' A' ' 137' ' ' THR . 36.2 mtpt -82.42 -31.62 29.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.744 HG13 HG22 ' A' ' 104' ' ' VAL . 91.2 t -68.15 -11.25 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.083 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -86.0 -63.07 1.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -49.12 -25.26 2.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 141' ' ' LYS . 97.0 t -80.18 -43.65 22.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -61.69 -41.08 97.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.961 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -47.19 -57.84 4.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -87.08 113.31 3.93 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.46 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.67 -40.29 7.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.8 0.333 . . . . 0.0 110.923 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 66.3 p -42.42 -49.94 5.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -54.85 124.88 33.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.456 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.8 132.24 22.86 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.627 2.218 . . . . 0.0 112.341 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 1.1 t -43.78 -57.4 3.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 36.7 m -38.49 -58.6 1.01 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.916 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.537 179.972 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.5 p -132.07 154.71 49.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.861 0.362 . . . . 0.0 110.863 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.1 p -144.37 152.05 40.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.831 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.45 -80.45 0.25 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.489 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -105.96 155.86 18.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.901 0.381 . . . . 0.0 110.849 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -130.04 102.81 6.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.55 65.76 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.447 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.83 -45.06 1.69 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.617 2.212 . . . . 0.0 112.362 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 35.9 ttt85 -119.85 167.76 11.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.5 mmtp -44.18 168.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.86 88.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.09 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.7 m -159.8 124.08 3.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.807 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.18 80.9 0.34 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.932 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.9 mmtm -145.52 152.83 50.48 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.574 0.702 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 139.76 41.16 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.685 2.257 . . . . 0.0 112.324 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.7 Cg_endo -69.8 -37.51 8.97 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.628 2.219 . . . . 0.0 112.315 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 16' ' ' PRO . 43.8 mtt180 -37.63 -56.34 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.866 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -91.17 100.13 13.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -140.25 113.35 8.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.8 p -118.48 142.45 47.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.834 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.3 m -157.33 156.69 32.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.94 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -124.65 117.95 25.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.559 ' CG2' HG11 ' A' ' 142' ' ' VAL . 14.8 t -111.17 151.03 28.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.508 ' HB2' HD11 ' A' ' 69' ' ' LEU . 8.2 t -126.42 159.3 33.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.856 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 77.7 t -113.6 91.15 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 31.8 tp -78.54 117.69 19.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.492 ' HB2' HG22 ' A' ' 36' ' ' ILE . 9.9 tt0 -131.97 145.84 51.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.477 ' N ' ' HG2' ' A' ' 27' ' ' GLU . 3.7 pt20 -135.6 149.41 69.14 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.577 0.703 . . . . 0.0 110.99 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 121.68 8.38 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.726 2.284 . . . . 0.0 112.393 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -119.14 166.87 13.14 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.486 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.54 -55.85 8.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.845 0.355 . . . . 0.0 111.102 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 74.7 mt -60.52 -43.16 97.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.73 -69.08 0.1 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.51 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -164.72 157.23 16.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.71 0.29 . . . . 0.0 111.121 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.456 ' HG3' HG22 ' A' ' 126' ' ' THR . 0.9 OUTLIER -144.78 145.68 31.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.88 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.492 HG22 ' HB2' ' A' ' 27' ' ' GLU . 6.0 pt -111.03 176.53 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.568 HD11 ' HB1' ' A' ' 122' ' ' ALA . 36.2 tp -110.98 142.39 43.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.48 ' CD2' ' HB3' ' A' ' 51' ' ' TRP . 11.2 tp -140.25 121.12 14.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 28.3 m -111.43 141.67 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -93.3 163.21 13.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.983 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -102.86 136.14 19.32 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.559 0.695 . . . . 0.0 110.91 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 2.71 3.26 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.713 2.276 . . . . 0.0 112.345 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.595 ' C ' ' HB1' ' A' ' 48' ' ' ALA . 34.8 t-20 -76.13 141.17 41.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 57.6 m -125.94 116.36 21.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.574 ' N ' ' HB3' ' A' ' 48' ' ' ALA . . . 143.96 -159.91 27.7 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.505 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.9 mt -50.02 115.28 1.34 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.837 0.351 . . . . 0.0 110.934 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.3 mt 59.08 43.37 17.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.595 ' HB1' ' C ' ' A' ' 43' ' ' ASN . . . -131.47 158.61 40.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.44 ' C ' HD22 ' A' ' 50' ' ' LEU . . . 66.69 38.19 92.99 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.462 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.5 ' CD2' ' O ' ' A' ' 48' ' ' ALA . 4.2 mm? -112.9 153.9 27.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.772 0.32 . . . . 0.0 110.969 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.48 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 97.2 m95 -80.79 132.42 35.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -161.92 152.36 17.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.617 ' CZ ' ' CE1' ' A' ' 130' ' ' PHE . 9.1 m-85 -57.1 148.25 52.02 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.639 0.733 . . . . 0.0 110.87 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.73 140.9 43.91 Favored 'Trans proline' 0 N--CA 1.465 -0.2 0 C-N-CA 122.733 2.289 . . . . 0.0 112.381 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.0 p -139.18 163.84 31.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.832 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.484 HG11 ' HA ' ' A' ' 69' ' ' LEU . 17.7 m -127.01 179.61 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 19.0 p -67.41 139.98 57.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.501 ' CH2' ' HA ' ' A' ' 60' ' ' PRO . 83.9 t90 -51.45 162.05 0.4 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.407 ' HB2' ' CD ' ' A' ' 65' ' ' GLN . 5.4 mm-40 -151.95 129.05 5.56 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.607 0.718 . . . . 0.0 110.945 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.501 ' HA ' ' CH2' ' A' ' 58' ' ' TRP . 53.5 Cg_endo -69.76 -29.07 24.45 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.708 2.272 . . . . 0.0 112.325 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.1 t -93.56 132.65 37.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.829 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.422 ' HG2' ' N ' ' A' ' 63' ' ' GLN . 0.6 OUTLIER -53.06 -37.21 61.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.422 ' N ' ' HG2' ' A' ' 62' ' ' GLU . 44.2 tt0 -72.48 -66.49 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 63' ' ' GLN . 9.3 mp -36.67 -41.75 0.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.407 ' CD ' ' HB2' ' A' ' 59' ' ' GLU . 8.2 tp60 -57.51 -48.41 79.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.423 ' HG2' ' CD2' ' A' ' 85' ' ' LEU . 16.6 mtp180 -72.23 -32.13 66.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -58.23 -59.66 4.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.86 -38.9 73.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.508 HD11 ' HB2' ' A' ' 24' ' ' CYS . 53.2 tp -51.41 -53.86 32.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.579 HD22 ' HB3' ' A' ' 80' ' ' LEU . 83.0 mt -64.27 -50.12 69.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 70' ' ' LEU . 14.4 mm-40 -35.94 -48.37 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.1 tp10 -65.61 -58.02 6.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.94 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.2 mt -40.23 -54.87 2.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -48.24 -38.06 17.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -55.13 -31.36 61.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 60.5 m95 -88.62 -71.88 0.57 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.454 ' HA ' HG21 ' A' ' 115' ' ' VAL . . . -74.8 -72.92 0.26 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.11 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 150.8 -97.63 0.18 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.506 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 108.2 2.03 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.752 2.302 . . . . 0.0 112.29 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.579 ' HB3' HD22 ' A' ' 70' ' ' LEU . 4.3 mm? -119.43 126.84 26.77 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.675 0.75 . . . . 0.0 110.857 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.741 ' HG2' HD21 ' A' ' 107' ' ' LEU . 53.7 Cg_endo -69.79 -179.44 2.93 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.675 2.25 . . . . 0.0 112.368 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -120.55 -72.51 0.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.104 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 47.8 m -49.64 -49.89 45.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.191 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 -39.01 -36.23 0.27 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.423 ' CD2' ' HG2' ' A' ' 66' ' ' ARG . 25.0 tp -64.33 128.25 34.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 28.8 mtt85 -145.19 105.28 4.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.44 ' NE2' ' O ' ' A' ' 89' ' ' GLY . 13.2 t-80 -42.2 129.09 3.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 25.6 mt -123.94 90.03 3.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.44 ' O ' ' NE2' ' A' ' 87' ' ' HIS . . . 60.84 -170.3 8.12 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.495 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -146.44 171.02 15.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.921 0.391 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.452 HG21 ' HA ' ' A' ' 142' ' ' VAL . 77.3 t -140.58 117.03 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.199 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.587 HG22 ' HA ' ' A' ' 101' ' ' THR . 54.6 t -129.91 106.4 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.077 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 37.7 t60 -98.68 107.0 19.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.848 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.7 p -79.7 101.68 8.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.135 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.423 ' N ' ' O ' ' A' ' 98' ' ' ILE . 64.8 m-85 -70.93 -179.88 2.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.9 t -47.77 -68.06 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.923 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.407 ' C ' HG13 ' A' ' 98' ' ' ILE . 0.7 OUTLIER -120.27 28.04 8.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 95' ' ' PHE . 60.8 mt -144.55 146.76 19.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 28.1 tttm -126.77 118.06 23.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.488 ' O ' HG13 ' A' ' 92' ' ' VAL . 4.1 mm? -105.5 140.72 38.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.994 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.587 ' HA ' HG22 ' A' ' 92' ' ' VAL . 90.9 m -123.63 109.33 13.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.109 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -109.09 139.58 43.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.94 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -103.48 110.09 21.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.836 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.597 HG22 HG13 ' A' ' 142' ' ' VAL . 65.7 t -69.94 123.97 24.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.148 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -134.04 127.17 31.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -109.29 119.49 5.53 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.514 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.741 HD21 ' HG2' ' A' ' 81' ' ' PRO . 1.7 tm? -135.31 109.58 8.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.867 0.365 . . . . 0.0 110.913 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.429 ' N ' HD13 ' A' ' 107' ' ' LEU . . . -124.22 140.37 53.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.078 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.513 HD22 ' HB2' ' A' ' 112' ' ' GLN . 87.6 mt -78.2 101.45 7.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -72.37 -53.16 13.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -149.05 48.51 0.6 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.46 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.513 ' HB2' HD22 ' A' ' 109' ' ' LEU . 12.2 mt-30 -113.02 -179.0 3.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.97 0.414 . . . . 0.0 110.884 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 37.8 p -74.72 128.82 84.77 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.528 0.68 . . . . 0.0 111.177 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.66 167.02 25.52 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.708 2.272 . . . . 0.0 112.318 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' ' 117' ' ' THR . 10.3 p -94.56 -45.69 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.118 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.514 ' N ' HG13 ' A' ' 115' ' ' VAL . 43.7 p 45.86 30.4 0.86 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.521 ' O ' HG22 ' A' ' 115' ' ' VAL . 5.8 t -170.0 151.25 3.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.606 ' CG2' ' HB3' ' A' ' 122' ' ' ALA . 11.0 p -154.9 137.18 9.89 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.621 0.724 . . . . 0.0 111.145 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.557 ' HD2' HG23 ' A' ' 118' ' ' VAL . 54.0 Cg_endo -69.8 169.97 17.71 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.698 2.265 . . . . 0.0 112.306 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 116.73 4.7 Favored 'Trans proline' 0 N--CA 1.464 -0.225 0 C-N-CA 122.738 2.292 . . . . 0.0 112.359 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 127.83 -26.43 4.81 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.406 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.606 ' HB3' ' CG2' ' A' ' 118' ' ' VAL . . . -98.44 148.11 24.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.824 0.345 . . . . 0.0 111.105 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.464 ' HB3' ' CZ3' ' A' ' 51' ' ' TRP . 7.1 ttt180 -122.1 141.7 51.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 28.2 m95 -117.4 103.59 10.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.448 HD23 ' NE ' ' A' ' 123' ' ' ARG . 1.7 pp -125.67 169.96 12.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' THR . . . . . 0.456 HG22 ' HG3' ' A' ' 35' ' ' GLN . 22.7 p -78.27 161.97 26.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -51.45 -43.78 62.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -65.99 -46.8 76.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -50.58 -45.61 57.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.617 ' CE1' ' CZ ' ' A' ' 53' ' ' PHE . 25.1 t80 -50.76 -53.89 28.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.877 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -42.5 -53.4 4.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.855 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 51.9 p -70.86 -33.78 70.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.179 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.879 ' O ' HG23 ' A' ' 135' ' ' VAL . . . -52.39 139.55 24.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.033 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -54.77 96.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.879 HG23 ' O ' ' A' ' 133' ' ' ALA . 3.1 t -132.76 137.85 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 7.9 p -64.94 157.2 28.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.821 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.733 HG22 ' HD2' ' A' ' 141' ' ' LYS . 47.7 m -49.55 -57.76 6.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -45.58 -70.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.033 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' MET . . . . . 0.563 ' HB2' HG12 ' A' ' 135' ' ' VAL . 39.0 mmm -46.02 -46.33 16.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.467 ' CG ' ' HB ' ' A' ' 135' ' ' VAL . 73.6 mttt -57.06 -31.43 65.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.733 ' HD2' HG22 ' A' ' 137' ' ' THR . 15.7 mtpp -73.59 -41.28 63.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.597 HG13 HG22 ' A' ' 104' ' ' VAL . 69.2 t -53.89 -15.4 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.138 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.446 ' O ' ' N ' ' A' ' 146' ' ' TYR . 87.5 t80 -82.38 -70.2 0.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.912 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -39.71 -29.99 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.4 ' N ' ' O ' ' A' ' 143' ' ' PHE . 86.7 t -69.62 -43.21 80.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 146' ' ' TYR . . . . . 0.446 ' N ' ' O ' ' A' ' 143' ' ' PHE . 2.4 t80 -66.11 -46.32 78.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -39.25 -55.26 1.71 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -88.87 72.97 2.21 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.476 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' GLN . . . . . 0.413 ' CG ' ' O ' ' A' ' 149' ' ' GLN . 19.3 pt20 -72.05 107.17 4.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.783 0.325 . . . . 0.0 110.955 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 54.5 m -132.71 81.53 1.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 50.19 179.68 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.497 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 162.61 41.45 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.714 2.276 . . . . 0.0 112.338 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 78.0 p -57.61 119.13 6.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.898 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 91.6 p -106.39 147.83 28.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.796 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.518 -179.988 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 m -61.33 141.04 57.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.898 0.38 . . . . 0.0 110.854 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.8 p -77.65 -58.8 3.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.838 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.27 100.1 2.63 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.498 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.2 m -124.31 144.75 49.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.861 0.362 . . . . 0.0 110.923 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -141.93 156.23 45.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -50.56 164.37 0.77 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.541 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.84 -1.71 9.0 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.655 2.237 . . . . 0.0 112.334 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 35.8 mtm-85 -52.45 -60.9 2.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 50.0 mttp -132.52 171.87 13.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 12' ' ' SER . . . -116.49 39.98 3.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.074 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 11' ' ' ALA . 68.0 m -34.96 -54.55 0.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -112.8 -58.2 2.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.5 mmmt -116.99 147.54 40.34 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.583 0.706 . . . . 0.0 110.932 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 168.22 22.18 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.674 2.249 . . . . 0.0 112.333 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.5 Cg_endo -69.74 -25.26 28.89 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.699 2.266 . . . . 0.0 112.288 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 16' ' ' PRO . 37.9 mtp180 -35.82 -71.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.938 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -85.3 117.84 24.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -149.92 112.65 4.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.409 ' C ' ' HB2' ' A' ' 58' ' ' TRP . 14.6 m -116.32 140.34 49.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.6 m -154.43 157.35 38.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.887 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -121.18 105.03 10.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.127 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.8 t -99.0 140.4 33.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.174 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 46.4 t -113.44 162.91 15.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 74.0 t -117.72 88.82 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.541 HD23 HD22 ' A' ' 37' ' ' LEU . 28.4 tp -74.31 123.63 24.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.983 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -136.17 145.02 45.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.512 ' HG3' HD12 ' A' ' 109' ' ' LEU . 29.2 tt0 -140.2 140.87 24.56 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.609 0.719 . . . . 0.0 110.888 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.464 ' HD2' ' CG ' ' A' ' 28' ' ' GLN . 54.7 Cg_endo -69.71 133.28 25.27 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.673 2.249 . . . . 0.0 112.408 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -126.23 -144.92 6.24 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.48 -65.01 1.04 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.759 0.314 . . . . 0.0 111.047 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.1 mt -57.98 -42.26 84.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.854 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.52 -78.74 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.474 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.45 146.71 13.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.679 0.276 . . . . 0.0 111.118 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -131.31 158.86 39.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.7 pt -109.93 176.52 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.134 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.541 HD22 HD23 ' A' ' 26' ' ' LEU . 6.3 tp -111.65 140.97 45.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.485 ' CD2' ' HB3' ' A' ' 51' ' ' TRP . 9.4 tp -132.88 144.29 50.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.94 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.453 HG11 ' CE2' ' A' ' 76' ' ' TRP . 4.5 m -119.24 159.39 20.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -106.79 130.37 54.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.4 mmp_? -72.45 155.58 91.1 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.596 0.713 . . . . 0.0 110.832 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 161.73 44.81 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.657 2.238 . . . . 0.0 112.368 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -80.06 73.29 6.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.927 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 t -161.79 127.35 3.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.809 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.59 148.4 16.85 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.447 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.2 mt -55.07 153.09 6.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.918 0.39 . . . . 0.0 110.942 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 14.3 tp 62.19 38.28 13.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.919 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.496 ' O ' ' CD2' ' A' ' 50' ' ' LEU . . . -95.48 166.64 11.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.798 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.601 ' C ' HD22 ' A' ' 50' ' ' LEU . . . 74.76 28.61 62.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.477 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.601 HD22 ' C ' ' A' ' 49' ' ' GLY . 2.9 mm? -115.3 141.99 47.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.848 0.356 . . . . 0.0 110.904 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.485 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 61.2 m95 -76.84 133.5 39.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.405 ' O ' HG22 ' A' ' 39' ' ' VAL . 5.1 mt-10 -153.02 170.06 21.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.57 ' CZ ' ' CE2' ' A' ' 130' ' ' PHE . 22.7 m-85 -76.6 143.91 72.72 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.639 0.733 . . . . 0.0 110.862 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 139.27 39.82 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.675 2.25 . . . . 0.0 112.359 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 77.3 p -146.71 167.87 22.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.4 m -126.62 177.76 5.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.181 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 29.4 p -66.49 128.41 36.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.114 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.409 ' HB2' ' C ' ' A' ' 20' ' ' SER . 80.0 t90 -44.27 150.8 0.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.431 ' HG3' ' C ' ' A' ' 64' ' ' LEU . 26.6 mm-40 -130.06 136.22 28.7 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.611 0.72 . . . . 0.0 110.897 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -21.77 33.24 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.749 2.3 . . . . 0.0 112.303 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 t -107.14 143.59 35.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.888 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -63.77 -20.78 66.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.852 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.3 tp60 -87.14 -54.41 4.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.431 ' C ' ' HG3' ' A' ' 59' ' ' GLU . 1.9 mp -50.58 -32.19 17.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -64.04 -66.71 0.51 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.962 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.613 ' HB3' HD23 ' A' ' 85' ' ' LEU . 34.0 mtm180 -59.53 -29.25 67.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.819 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.4 mtmt -62.14 -60.24 3.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.15 -31.11 68.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.586 HD23 HD21 ' A' ' 85' ' ' LEU . 15.2 tp -53.76 -57.78 9.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.916 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.43 HD22 ' HB3' ' A' ' 80' ' ' LEU . 91.5 mt -58.94 -50.02 75.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -40.89 -34.34 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -79.98 -56.72 4.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 30.7 mt -41.38 -47.16 3.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.954 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -53.6 -37.73 63.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -54.43 -30.32 52.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.453 ' CE2' HG11 ' A' ' 39' ' ' VAL . 61.7 m95 -93.68 -71.6 0.65 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.94 -71.7 0.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.106 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 145.31 -98.62 0.2 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.508 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.431 ' C ' HD22 ' A' ' 80' ' ' LEU . 53.6 Cg_endo -69.84 106.34 1.66 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.671 2.247 . . . . 0.0 112.353 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.431 HD22 ' C ' ' A' ' 79' ' ' PRO . 4.5 mm? -121.37 127.24 26.21 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.61 0.719 . . . . 0.0 110.935 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.646 ' HG2' HD21 ' A' ' 107' ' ' LEU . 53.7 Cg_endo -69.64 -177.62 1.92 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.675 2.25 . . . . 0.0 112.359 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -124.7 -57.75 1.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.032 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 27.7 m -55.6 -44.66 77.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -54.67 -35.11 63.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.613 HD23 ' HB3' ' A' ' 66' ' ' ARG . 37.5 tp -63.92 130.15 42.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 -151.79 164.08 37.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.658 ' C ' HD23 ' A' ' 88' ' ' LEU . 7.7 t-80 -99.69 124.74 45.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.832 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.658 HD23 ' C ' ' A' ' 87' ' ' HIS . 1.9 mt -126.51 95.36 4.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 68.75 177.07 13.22 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.469 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -134.57 165.09 26.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.844 0.354 . . . . 0.0 110.907 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.761 HG21 ' HA ' ' A' ' 142' ' ' VAL . 58.5 t -137.91 112.05 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.084 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.434 HG13 ' O ' ' A' ' 100' ' ' LEU . 55.5 t -125.73 106.84 16.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.126 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.713 ' CE1' ' CE1' ' A' ' 95' ' ' PHE . 30.7 t-80 -100.94 135.4 42.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.77 119.12 37.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.207 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.713 ' CE1' ' CE1' ' A' ' 93' ' ' HIS . 70.4 m-85 -104.28 178.96 4.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.402 ' O ' ' CG ' ' A' ' 97' ' ' HIS . 22.9 t -52.86 116.34 2.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.797 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.402 ' CG ' ' O ' ' A' ' 96' ' ' SER . 25.5 p-80 42.22 28.83 0.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.519 HG22 ' N ' ' A' ' 99' ' ' LYS . 73.0 mt -138.77 159.72 30.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.519 ' N ' HG22 ' A' ' 98' ' ' ILE . 5.0 ttpt -139.03 127.19 22.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.929 179.786 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.434 ' O ' HG13 ' A' ' 92' ' ' VAL . 3.6 mm? -118.05 143.12 46.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.931 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 92.8 m -129.76 111.15 12.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.104 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -112.1 132.38 54.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.956 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -98.04 115.2 27.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.836 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.653 ' CG2' HG23 ' A' ' 91' ' ' VAL . 67.4 t -71.17 123.93 26.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.065 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -134.99 103.92 5.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -84.67 134.66 12.85 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.646 HD21 ' HG2' ' A' ' 81' ' ' PRO . 3.3 tm? -151.69 115.38 4.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 110.925 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -131.78 157.18 44.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.512 HD12 ' HG3' ' A' ' 28' ' ' GLN . 67.4 mt -88.89 106.59 18.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.974 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -47.86 -44.13 29.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.974 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 155.73 49.88 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.487 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.509 ' O ' HG23 ' A' ' 113' ' ' THR . 3.3 mt-30 -95.0 -69.75 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 0.0 110.856 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.509 HG23 ' O ' ' A' ' 112' ' ' GLN . 34.3 p -159.52 142.46 10.32 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.558 0.694 . . . . 0.0 111.19 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -168.6 0.28 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.688 2.258 . . . . 0.0 112.37 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.431 ' O ' ' C ' ' A' ' 116' ' ' THR . 7.5 p -120.72 -39.48 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 115' ' ' VAL . 5.8 p 34.6 45.02 0.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 80.1 m -165.89 120.94 1.23 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.149 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.667 ' CG2' ' HB3' ' A' ' 122' ' ' ALA . 13.5 p -144.88 136.08 12.52 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.577 0.703 . . . . 0.0 111.205 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.505 ' HD2' HG23 ' A' ' 118' ' ' VAL . 53.6 Cg_endo -69.72 165.56 30.51 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.744 2.296 . . . . 0.0 112.288 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 97.23 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.724 2.283 . . . . 0.0 112.33 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 146.04 -10.26 1.58 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.486 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.667 ' HB3' ' CG2' ' A' ' 118' ' ' VAL . . . -114.16 153.96 28.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.341 . . . . 0.0 111.09 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.419 ' HB3' ' CZ3' ' A' ' 51' ' ' TRP . 11.8 ttm-85 -132.63 148.67 52.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 37.1 m95 -112.38 101.47 9.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.957 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.447 ' HB2' ' CB ' ' A' ' 129' ' ' GLU . 1.5 pp -120.96 169.54 10.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.945 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 5.3 p -91.07 164.47 13.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.421 ' H ' ' CD ' ' A' ' 127' ' ' GLN . 2.0 mp0 -48.78 -47.11 42.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -61.83 -38.85 89.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.447 ' CB ' ' HB2' ' A' ' 125' ' ' LEU . 36.5 mm-40 -63.93 -47.25 81.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.67 ' O ' ' HB3' ' A' ' 133' ' ' ALA . 9.7 t80 -49.78 -55.32 14.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.823 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 130' ' ' PHE . 3.2 m-70 -38.21 -63.19 0.51 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 64.0 p -57.9 -27.45 63.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.187 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.67 ' HB3' ' O ' ' A' ' 130' ' ' PHE . . . -57.07 153.59 11.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.075 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.411 ' HB1' HD12 ' A' ' 50' ' ' LEU . . . -80.24 99.64 7.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.143 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.775 HG12 ' HB2' ' A' ' 139' ' ' MET . 0.5 OUTLIER -130.91 158.49 43.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 137' ' ' THR . 3.6 p -85.46 149.27 25.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.811 HG22 ' HE2' ' A' ' 141' ' ' LYS . 55.5 m -34.42 -68.6 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.185 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.47 ' O ' HG23 ' A' ' 142' ' ' VAL . . . -38.61 -59.42 0.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' MET . . . . . 0.775 ' HB2' HG12 ' A' ' 135' ' ' VAL . 44.5 mmm -58.96 -29.23 67.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.927 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 137' ' ' THR . 14.0 mtpt -76.74 -31.63 57.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.879 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.811 ' HE2' HG22 ' A' ' 137' ' ' THR . 0.1 OUTLIER -89.76 -11.66 41.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.761 ' HA ' HG21 ' A' ' 91' ' ' VAL . 3.7 t -74.61 -18.8 16.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.487 ' CZ ' ' CD ' ' A' ' 147' ' ' GLN . 38.7 t80 -91.23 -47.52 7.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.5 -19.26 14.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.857 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.524 HG11 HG21 ' A' ' 104' ' ' VAL . 30.3 t -82.75 -19.28 10.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.094 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 146' ' ' TYR . . . . . 0.484 ' HD1' HD12 ' A' ' 88' ' ' LEU . 1.5 t80 -94.29 -31.08 14.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.941 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 147' ' ' GLN . . . . . 0.487 ' CD ' ' CZ ' ' A' ' 143' ' ' PHE . 19.3 mt-30 -63.36 -37.85 88.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -90.96 43.36 2.85 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.483 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' GLN . . . . . 0.55 ' CB ' HD13 ' A' ' 88' ' ' LEU . 35.3 mm-40 -141.18 171.26 14.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.749 0.309 . . . . 0.0 110.972 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 3.6 m -63.61 173.65 1.61 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.831 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 123.9 -70.95 0.44 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.484 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 -11.63 31.14 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.685 2.257 . . . . 0.0 112.35 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 54.1 p -72.13 108.22 5.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.776 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 39.7 t -92.29 115.1 27.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.862 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.391 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.528 -179.986 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.1 p -106.1 -56.4 2.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.937 0.399 . . . . 0.0 110.883 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.7 p -53.49 141.74 24.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.774 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.85 -60.47 0.46 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.48 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.0 p 39.54 37.31 0.29 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.877 0.37 . . . . 0.0 110.825 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.4 m -89.01 110.87 21.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.81 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.73 -149.64 19.57 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.455 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 2.46 3.54 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.63 2.22 . . . . 0.0 112.348 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.5 mtm180 -97.59 54.76 1.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 11' ' ' ALA . 39.1 pttt -72.04 -175.18 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 10' ' ' LYS . . . -34.51 -51.89 0.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.092 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.457 ' O ' ' C ' ' A' ' 13' ' ' ARG . 76.6 p -114.4 101.3 9.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.854 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.457 ' C ' ' O ' ' A' ' 12' ' ' SER . 8.9 ptt180 -33.92 144.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.936 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.1 mmmm -149.53 155.95 39.07 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.594 0.711 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 152.87 69.39 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.677 2.251 . . . . 0.0 112.348 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.1 Cg_endo -69.78 -26.38 27.54 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.683 2.255 . . . . 0.0 112.348 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 16' ' ' PRO . 19.1 mtp180 -33.32 -74.07 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 3.5 tp10 -85.56 119.03 25.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -149.56 112.48 4.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.92 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.2 m -115.77 137.32 52.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.806 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.7 m -154.38 155.47 35.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.865 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -117.94 112.31 20.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.065 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.8 t -103.8 141.78 35.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.787 ' HB3' HD11 ' A' ' 69' ' ' LEU . 16.1 t -125.59 158.68 34.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.411 ' N ' ' SG ' ' A' ' 24' ' ' CYS . 84.6 t -113.35 124.62 70.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.173 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.423 HD23 HD22 ' A' ' 37' ' ' LEU . 12.9 tp -109.51 118.9 37.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -126.62 147.48 49.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.83 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.454 ' HG2' ' CZ3' ' A' ' 124' ' ' TRP . 4.2 pt20 -138.79 149.37 61.79 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.671 0.748 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 117.08 4.87 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.66 2.24 . . . . 0.0 112.333 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -106.75 -160.39 21.91 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.473 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.77 -62.24 1.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.802 0.334 . . . . 0.0 111.07 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 34.3 mt -61.46 -45.85 92.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -168.67 -85.42 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.511 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -156.8 156.19 32.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.723 0.296 . . . . 0.0 111.119 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.491 ' CG ' HG22 ' A' ' 126' ' ' THR . 13.4 mt-30 -139.08 153.44 48.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.6 pt -112.27 173.03 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.121 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.423 HD22 HD23 ' A' ' 26' ' ' LEU . 10.2 tp -103.92 134.3 47.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.458 ' CD2' HD21 ' A' ' 125' ' ' LEU . 10.0 tp -134.86 123.9 24.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.971 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 23.6 m -106.58 157.8 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.214 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -105.14 147.14 28.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.519 HH12 HD23 ' A' ' 47' ' ' LEU . 42.8 mtp180 -85.68 154.48 58.84 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.619 0.723 . . . . 0.0 110.855 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.797 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 54.1 Cg_endo -69.72 170.65 16.03 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.68 2.253 . . . . 0.0 112.388 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -79.78 56.96 2.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.637 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 13.4 t -121.9 130.6 53.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.904 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.38 175.45 42.99 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.503 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.3 mt -69.97 -47.88 60.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.836 0.35 . . . . 0.0 110.861 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.519 HD23 HH12 ' A' ' 41' ' ' ARG . 10.2 tp -88.56 76.56 8.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.938 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.797 ' HB1' ' O ' ' A' ' 42' ' ' PRO . . . -135.99 177.56 7.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.72 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.12 10.04 61.39 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.466 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.479 HD12 ' HB1' ' A' ' 134' ' ' ALA . 4.5 mm? -89.41 177.75 6.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.752 0.31 . . . . 0.0 110.973 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.537 ' O ' HG13 ' A' ' 135' ' ' VAL . 79.6 m95 -114.96 124.87 52.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.933 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.406 ' HA ' HG13 ' A' ' 135' ' ' VAL . 1.3 pm0 -153.84 156.11 37.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.685 ' CZ ' ' CE1' ' A' ' 130' ' ' PHE . 24.3 m-85 -58.42 146.82 70.83 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.62 0.724 . . . . 0.0 110.923 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 139.8 41.28 Favored 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.721 2.281 . . . . 0.0 112.368 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 85.4 p -146.08 165.06 30.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.1 m -126.22 171.41 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.7 t -56.32 153.82 9.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 85.2 t90 -68.11 142.45 55.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -125.59 130.35 24.11 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.692 0.758 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -22.96 31.38 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.683 2.256 . . . . 0.0 112.321 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.3 t -95.28 137.09 34.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -59.01 -24.28 62.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -86.2 -62.37 1.53 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.5 mp -39.49 -38.72 0.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -57.65 -54.67 44.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.406 ' NH2' ' O ' ' A' ' 82' ' ' ALA . 65.5 mtp180 -65.43 -52.21 54.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -44.7 -68.09 0.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.939 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.56 -46.85 83.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.069 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.787 HD11 ' HB3' ' A' ' 24' ' ' CYS . 2.3 tp -43.2 -43.53 4.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.511 HD22 ' HB3' ' A' ' 80' ' ' LEU . 53.2 mt -76.11 -48.6 20.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.956 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 70' ' ' LEU . 82.8 mt-30 -35.29 -48.46 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.3 tp10 -66.97 -55.06 16.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.5 mt -41.94 -46.97 4.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -56.2 -43.4 78.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.941 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 47.8 mtp180 -49.47 -32.73 12.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 71.9 m95 -87.11 -69.38 0.69 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.707 ' HB1' HG21 ' A' ' 115' ' ' VAL . . . -76.49 -70.41 0.45 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.081 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 147.76 -102.3 0.24 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.456 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 108.22 2.04 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.636 2.224 . . . . 0.0 112.305 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.511 ' HB3' HD22 ' A' ' 70' ' ' LEU . 4.4 mm? -119.87 132.97 23.87 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.548 0.689 . . . . 0.0 110.914 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.543 ' CG ' HD11 ' A' ' 107' ' ' LEU . 53.8 Cg_endo -69.74 -168.49 0.28 Allowed 'Trans proline' 0 C--N 1.34 0.111 0 C-N-CA 122.68 2.253 . . . . 0.0 112.354 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.406 ' O ' ' NH2' ' A' ' 66' ' ' ARG . . . -132.25 -59.11 0.93 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.136 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 88.0 m -57.77 -42.87 84.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -51.77 -24.92 6.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.822 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.508 ' HB2' HD23 ' A' ' 107' ' ' LEU . 26.7 tp -75.76 129.29 36.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -149.78 149.43 30.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.687 ' O ' HD23 ' A' ' 88' ' ' LEU . 11.2 t-80 -87.14 126.19 34.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.687 HD23 ' O ' ' A' ' 87' ' ' HIS . 7.6 mt -127.66 92.8 3.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 69.07 -170.35 41.3 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.46 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -143.33 170.53 15.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.807 0.337 . . . . 0.0 110.93 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.623 HG21 ' HA ' ' A' ' 142' ' ' VAL . 40.4 t -143.23 105.09 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.627 HG22 HG23 ' A' ' 101' ' ' THR . 90.5 t -118.83 111.86 35.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.092 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.483 ' CE1' ' CE1' ' A' ' 95' ' ' PHE . 63.0 t-80 -105.04 147.82 27.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 45.1 m -118.93 114.89 23.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.181 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.483 ' CE1' ' CE1' ' A' ' 93' ' ' HIS . 85.9 m-85 -99.61 -176.49 3.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.49 ' O ' ' CG ' ' A' ' 97' ' ' HIS . 10.9 m -51.42 114.37 1.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.49 ' CG ' ' O ' ' A' ' 96' ' ' SER . 28.1 p80 43.96 28.26 0.24 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.813 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.463 ' CG2' ' N ' ' A' ' 99' ' ' LYS . 26.8 mt -137.48 156.24 32.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.184 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.463 ' N ' ' CG2' ' A' ' 98' ' ' ILE . 0.0 OUTLIER -137.9 127.03 24.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.835 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.43 ' O ' HG13 ' A' ' 92' ' ' VAL . 1.3 mm? -117.5 142.9 46.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.972 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.627 HG23 HG22 ' A' ' 92' ' ' VAL . 35.0 m -127.76 111.27 13.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.158 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.411 ' CE1' HD12 ' A' ' 100' ' ' LEU . 68.2 m-85 -112.15 137.05 50.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -100.31 120.28 39.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.698 HG21 HG11 ' A' ' 145' ' ' VAL . 59.1 t -73.81 127.41 35.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.134 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -136.88 137.6 39.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -113.71 148.69 18.69 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.508 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.543 HD11 ' CG ' ' A' ' 81' ' ' PRO . 0.4 OUTLIER -162.44 106.51 1.15 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.776 0.322 . . . . 0.0 110.888 -179.879 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -124.23 140.86 52.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.078 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 85.3 mt -84.98 104.82 15.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.972 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -48.55 -22.28 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 125.19 46.49 0.23 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.554 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -88.5 -69.75 0.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.358 . . . . 0.0 110.844 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 6.4 p -146.06 140.4 15.5 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.486 0.66 . . . . 0.0 111.185 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 171.32 14.68 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.664 2.243 . . . . 0.0 112.34 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.707 HG21 ' HB1' ' A' ' 77' ' ' ALA . 5.9 p -103.86 -41.81 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 115' ' ' VAL . 22.7 p 34.2 45.38 0.12 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 85.3 m -160.89 122.35 2.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.075 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.55 HG22 ' HB3' ' A' ' 122' ' ' ALA . 6.3 p -165.57 135.83 2.88 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.58 0.705 . . . . 0.0 111.131 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.463 ' HD2' ' CG2' ' A' ' 118' ' ' VAL . 53.6 Cg_endo -69.77 168.5 21.4 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.685 2.257 . . . . 0.0 112.325 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 -0.28 6.67 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.701 2.267 . . . . 0.0 112.294 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -100.43 -5.22 54.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.53 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.55 ' HB3' HG22 ' A' ' 118' ' ' VAL . . . -126.19 150.33 48.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.728 0.299 . . . . 0.0 111.096 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -132.18 153.18 50.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.829 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' TRP . . . . . 0.454 ' CZ3' ' HG2' ' A' ' 28' ' ' GLN . 31.6 m95 -111.47 100.56 9.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.458 HD21 ' CD2' ' A' ' 38' ' ' LEU . 2.6 pp -115.4 170.06 8.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' THR . . . . . 0.491 HG22 ' CG ' ' A' ' 35' ' ' GLN . 4.5 p -87.15 167.39 14.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.149 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -52.04 -41.2 62.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -67.6 -50.94 55.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.946 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -52.93 -37.37 60.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.685 ' CE1' ' CZ ' ' A' ' 53' ' ' PHE . 4.0 t80 -55.25 -56.2 22.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 45.0 m80 -51.35 -45.01 62.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.805 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 20.4 p -75.04 -7.43 53.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 130' ' ' PHE . . . -80.89 176.26 9.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.016 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.479 ' HB1' HD12 ' A' ' 50' ' ' LEU . . . -94.73 95.79 8.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.761 HG12 ' HB2' ' A' ' 139' ' ' MET . 0.5 OUTLIER -125.73 157.79 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.159 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 139' ' ' MET . 2.5 m -83.78 141.7 31.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.647 HG22 ' HE3' ' A' ' 141' ' ' LYS . 97.0 m -33.4 -69.26 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.188 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.731 ' O ' HG23 ' A' ' 142' ' ' VAL . . . -40.31 -40.62 1.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' MET . . . . . 0.761 ' HB2' HG12 ' A' ' 135' ' ' VAL . 20.6 mmm -72.19 -39.91 68.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.838 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 137' ' ' THR . 3.0 mtpm? -66.11 -22.22 66.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.952 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.647 ' HE3' HG22 ' A' ' 137' ' ' THR . 8.6 ptpt -96.11 -10.18 28.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 138' ' ' ALA . 8.8 t -76.94 -25.59 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.505 ' CZ ' ' HG3' ' A' ' 147' ' ' GLN . 83.4 t80 -77.73 -57.19 3.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.45 ' CD ' ' HA ' ' A' ' 141' ' ' LYS . 6.9 ptm180 -46.95 -26.87 1.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.698 HG11 HG21 ' A' ' 104' ' ' VAL . 96.5 t -80.23 -36.6 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 146' ' ' TYR . . . . . 0.561 ' CE2' ' OE1' ' A' ' 147' ' ' GLN . 2.2 t80 -69.43 -32.36 71.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 147' ' ' GLN . . . . . 0.561 ' OE1' ' CE2' ' A' ' 146' ' ' TYR . 12.3 mm100 -89.46 -45.03 9.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -41.73 -32.53 0.91 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.519 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -93.91 107.01 18.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.832 0.348 . . . . 0.0 110.867 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 2.8 t 42.09 49.7 4.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -90.54 -93.68 1.24 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.484 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 148.83 66.06 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.755 2.303 . . . . 0.0 112.325 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 22.1 p -164.28 126.64 2.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.0 t -131.69 87.51 2.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.476 179.978 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.3 t -82.87 109.05 16.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.91 0.386 . . . . 0.0 110.857 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 t 42.38 43.98 3.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.87 60.43 0.66 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.505 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.7 m -60.81 175.96 0.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 110.874 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.0 p -160.08 127.37 4.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.16 -166.57 28.98 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 1.04 4.84 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.68 2.253 . . . . 0.0 112.312 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.3 ttm-85 -90.27 -45.96 8.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.957 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -75.12 -52.97 9.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.963 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -43.9 -58.9 2.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.077 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.8 m -158.23 172.31 18.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -88.35 23.9 2.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.2 mmtt -97.9 152.38 38.05 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.531 0.682 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 169.41 19.0 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.725 2.284 . . . . 0.0 112.302 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -25.52 28.42 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.69 2.26 . . . . 0.0 112.266 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.4 mtt180 -38.13 -59.25 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -97.02 100.21 11.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -139.31 113.48 8.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.942 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.3 m -114.87 147.3 40.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.811 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 24.4 m -155.25 153.12 30.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.853 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -117.64 109.38 16.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.088 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.5 t -102.91 139.62 38.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.164 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.471 ' SG ' ' N ' ' A' ' 25' ' ' VAL . 1.4 t -118.44 159.34 23.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.471 ' N ' ' SG ' ' A' ' 24' ' ' CYS . 69.5 t -113.55 87.74 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 27.6 tp -73.12 122.55 22.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -126.27 154.06 43.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.929 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -138.63 150.7 66.89 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.628 0.728 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 121.32 8.01 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.676 2.25 . . . . 0.0 112.312 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -114.85 147.37 18.89 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.538 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -45.87 -66.85 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.805 0.336 . . . . 0.0 111.053 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.7 mt -60.51 -39.88 89.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.958 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -167.79 -104.59 0.18 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.457 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -160.39 147.53 15.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.69 0.281 . . . . 0.0 111.174 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -132.71 158.54 42.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.426 HD12 ' CE1' ' A' ' 53' ' ' PHE . 3.6 pt -113.96 175.11 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.544 HD13 ' NE1' ' A' ' 124' ' ' TRP . 21.0 tp -101.62 149.85 23.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.966 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.694 HD22 HD21 ' A' ' 125' ' ' LEU . 10.4 tp -145.42 121.82 10.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.9 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.4 m -106.63 145.02 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.179 179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.483 ' HB2' ' CZ3' ' A' ' 51' ' ' TRP . 52.4 tt0 -100.41 158.27 16.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 49.3 mtt-85 -107.55 159.07 31.6 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.619 0.723 . . . . 0.0 110.891 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.64 151.38 69.76 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.639 2.226 . . . . 0.0 112.389 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -66.44 127.4 32.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 45' ' ' GLY . 3.2 m -166.96 158.11 12.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 44' ' ' SER . . . 36.37 -138.74 0.37 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.434 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 42.9 mt -98.3 -66.92 0.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.359 . . . . 0.0 110.881 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.507 HD13 HD23 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -74.84 97.06 3.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.56 ' O ' HD22 ' A' ' 50' ' ' LEU . . . -163.77 176.5 9.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.24 3.97 48.25 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.489 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.56 HD22 ' O ' ' A' ' 48' ' ' ALA . 3.5 mm? -79.51 160.92 26.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.35 . . . . 0.0 110.932 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.832 ' O ' HG13 ' A' ' 135' ' ' VAL . 97.6 m95 -98.21 131.22 44.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.427 ' CB ' ' HG3' ' A' ' 139' ' ' MET . 1.2 pm0 -158.65 148.23 19.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.601 ' CZ ' ' CE2' ' A' ' 130' ' ' PHE . 5.5 m-85 -51.05 151.23 4.79 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.689 0.757 . . . . 0.0 110.838 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.414 ' HG2' HD21 ' A' ' 73' ' ' LEU . 53.7 Cg_endo -69.81 143.95 52.25 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.764 2.309 . . . . 0.0 112.306 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 75.8 p -146.52 168.5 21.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.48 HG12 ' CB ' ' A' ' 72' ' ' GLU . 5.2 m -133.45 173.49 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.044 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.5 p -55.88 143.5 31.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.196 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.498 ' CH2' ' HA ' ' A' ' 60' ' ' PRO . 80.1 t90 -60.51 164.07 4.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.954 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.445 ' N ' ' CG ' ' A' ' 58' ' ' TRP . 38.0 mm-40 -143.5 134.65 12.58 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.596 0.712 . . . . 0.0 110.895 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.498 ' HA ' ' CH2' ' A' ' 58' ' ' TRP . 54.0 Cg_endo -69.67 -21.84 33.33 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.643 2.229 . . . . 0.0 112.405 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.6 t -106.49 156.54 18.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -71.71 -36.6 70.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -73.36 -51.63 16.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.849 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.1 mp -51.05 -36.25 38.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.431 ' NE2' ' HA ' ' A' ' 65' ' ' GLN . 6.4 tp60 -62.05 -57.7 10.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.917 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -59.96 -49.19 78.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.3 mtmp? -42.82 -67.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.507 ' O ' ' N ' ' A' ' 70' ' ' LEU . . . -61.61 -55.28 32.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.864 HD23 HD21 ' A' ' 85' ' ' LEU . 20.1 tp -34.84 -31.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.755 HD22 ' HB3' ' A' ' 80' ' ' LEU . 90.7 mt -90.47 -43.41 10.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 68' ' ' ALA . 5.6 pt20 -46.85 -26.54 1.0 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.48 ' CB ' HG12 ' A' ' 56' ' ' VAL . 6.6 tp10 -91.57 -46.51 7.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.414 HD21 ' HG2' ' A' ' 54' ' ' PRO . 11.6 mt -50.51 -48.88 56.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -52.19 -43.5 64.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.969 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -51.91 -32.75 33.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.446 ' O ' ' CD ' ' A' ' 119' ' ' PRO . 81.0 m95 -88.7 -67.21 0.85 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.956 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.459 ' HA ' HG21 ' A' ' 115' ' ' VAL . . . -79.19 -72.78 0.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.049 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 150.08 -100.16 0.2 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.469 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.549 ' O ' HD22 ' A' ' 80' ' ' LEU . 53.7 Cg_endo -69.79 112.6 3.13 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.684 2.256 . . . . 0.0 112.313 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.755 ' HB3' HD22 ' A' ' 70' ' ' LEU . 4.4 mm? -126.28 124.08 24.38 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.643 0.735 . . . . 0.0 110.898 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.921 ' HG2' HD21 ' A' ' 107' ' ' LEU . 54.1 Cg_endo -69.71 168.75 20.6 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.622 2.215 . . . . 0.0 112.338 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -113.69 -52.21 2.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.426 ' H ' HG22 ' A' ' 83' ' ' THR . 0.8 OUTLIER -68.25 -32.35 72.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 -179.905 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -60.9 -36.22 78.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.864 HD21 HD23 ' A' ' 69' ' ' LEU . 21.7 tp -59.77 153.18 21.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 28.1 ptt-85 -167.31 157.79 11.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.84 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -93.4 117.33 29.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.823 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.595 HD13 ' HB2' ' A' ' 149' ' ' GLN . 16.7 mt -122.2 91.89 3.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.98 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.72 -175.91 21.46 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.477 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -149.47 169.35 21.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.859 0.361 . . . . 0.0 110.916 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.456 HG23 ' CG2' ' A' ' 104' ' ' VAL . 87.0 t -141.69 107.87 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.122 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.677 HG22 HG23 ' A' ' 101' ' ' THR . 27.5 t -113.66 107.08 22.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.145 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.588 ' CE1' ' CE1' ' A' ' 95' ' ' PHE . 50.9 t-80 -101.61 157.27 16.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.834 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 19.3 m -126.84 123.89 38.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.188 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.588 ' CE1' ' CE1' ' A' ' 93' ' ' HIS . 29.1 m-85 -107.73 -179.85 4.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.539 ' O ' ' N ' ' A' ' 98' ' ' ILE . 5.6 m -48.25 125.38 9.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.587 ' O ' ' CG ' ' A' ' 97' ' ' HIS . 2.9 p-80 34.62 30.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.851 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.539 ' N ' ' O ' ' A' ' 96' ' ' SER . 52.3 mt -146.0 157.62 12.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.155 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.491 ' N ' HG22 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -139.78 130.69 26.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.825 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.474 ' N ' ' HD2' ' A' ' 99' ' ' LYS . 3.6 mm? -115.58 152.73 32.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.95 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.677 HG23 HG22 ' A' ' 92' ' ' VAL . 96.0 m -135.38 111.4 9.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.128 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -110.09 134.39 52.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 51.5 mm-40 -102.32 115.71 31.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.925 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.789 HG22 HG13 ' A' ' 142' ' ' VAL . 51.8 t -71.72 127.04 33.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.068 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -139.18 121.61 16.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -97.17 140.74 15.22 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.47 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.921 HD21 ' HG2' ' A' ' 81' ' ' PRO . 2.1 tm? -155.09 119.3 4.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.797 0.332 . . . . 0.0 110.925 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.578 ' N ' HD13 ' A' ' 107' ' ' LEU . . . -126.05 156.7 39.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 26.1 mt -91.44 128.37 37.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -72.67 -61.9 1.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 167.79 73.3 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.489 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 62.5 mm-40 -126.31 -64.5 1.03 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.924 0.392 . . . . 0.0 110.899 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 5.2 p -150.49 128.37 5.77 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-O 121.56 0.695 . . . . 0.0 111.076 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 173.06 11.49 Favored 'Trans proline' 0 N--CA 1.464 -0.209 0 C-N-CA 122.72 2.28 . . . . 0.0 112.356 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.801 HG11 ' CZ2' ' A' ' 124' ' ' TRP . 7.2 p -120.39 44.93 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.177 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.407 ' H ' HG22 ' A' ' 116' ' ' THR . 0.1 OUTLIER -59.64 -4.52 0.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.176 -179.926 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.419 ' H ' ' C ' ' A' ' 115' ' ' VAL . 6.9 m -110.65 109.01 19.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.632 ' CG2' ' HB3' ' A' ' 122' ' ' ALA . 13.1 p -124.75 136.71 28.3 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.677 0.751 . . . . 0.0 111.155 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.494 ' HD2' HG23 ' A' ' 118' ' ' VAL . 53.8 Cg_endo -69.75 167.43 24.44 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.705 2.27 . . . . 0.0 112.292 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 108.44 2.07 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.669 2.246 . . . . 0.0 112.341 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 134.26 -13.41 4.62 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.561 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.632 ' HB3' ' CG2' ' A' ' 118' ' ' VAL . . . -110.52 152.59 26.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.709 0.29 . . . . 0.0 111.174 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 11.6 ttm-85 -134.68 149.75 50.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.826 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' TRP . . . . . 0.801 ' CZ2' HG11 ' A' ' 115' ' ' VAL . 45.0 m95 -119.0 108.33 14.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.694 HD21 HD22 ' A' ' 38' ' ' LEU . 1.6 pp -121.97 169.84 10.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 10.7 p -82.37 167.94 18.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -63.22 -34.86 78.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -75.71 -18.27 59.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -81.36 -49.1 11.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.847 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.601 ' CE2' ' CZ ' ' A' ' 53' ' ' PHE . 15.0 t80 -46.28 -40.21 11.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.825 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -58.74 -41.42 86.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 28.7 p -84.74 -18.07 36.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.079 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -67.24 170.29 7.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.081 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -92.68 97.03 10.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.091 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.832 HG13 ' O ' ' A' ' 51' ' ' TRP . 1.1 t -123.09 154.74 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 137' ' ' THR . 27.2 t -78.09 138.36 38.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.79 HG22 ' HD2' ' A' ' 141' ' ' LYS . 32.2 m -34.4 -69.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.148 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 137' ' ' THR . . . -35.21 -47.59 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.092 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' MET . . . . . 0.539 ' HB2' HG12 ' A' ' 135' ' ' VAL . 34.4 mmm -67.61 -48.31 67.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 11.7 mtpt -56.53 -17.56 8.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.79 ' HD2' HG22 ' A' ' 137' ' ' THR . 5.8 mtpm? -91.03 -18.54 24.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.789 HG13 HG22 ' A' ' 104' ' ' VAL . 71.2 t -76.73 -44.43 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.147 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.417 ' CZ ' ' CD ' ' A' ' 147' ' ' GLN . 37.5 t80 -56.38 -55.14 37.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -53.18 -35.72 60.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 141' ' ' LYS . 75.4 t -72.64 -27.78 26.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.196 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -78.68 -46.41 19.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.918 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' GLN . . . . . 0.417 ' CD ' ' CZ ' ' A' ' 143' ' ' PHE . 20.7 mt-30 -52.34 -44.6 65.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -40.71 -52.16 3.86 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.527 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' GLN . . . . . 0.595 ' HB2' HD13 ' A' ' 88' ' ' LEU . 30.0 mm-40 -95.67 93.78 7.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.827 0.346 . . . . 0.0 110.904 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 12.0 t -146.9 176.5 9.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -66.43 175.93 19.93 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.438 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 153' ' ' SER . 53.4 Cg_endo -69.8 -8.54 23.86 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.638 2.225 . . . . 0.0 112.343 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 153' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 152' ' ' PRO . 7.5 m -34.6 147.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 30.5 t -144.12 125.38 14.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.509 -179.975 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.539 -0.225 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.6 t -83.77 109.03 17.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.896 0.379 . . . . 0.0 110.88 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.9 p -94.67 164.59 12.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.883 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.42 80.98 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.469 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.7 t -115.83 119.43 35.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.011 0.434 . . . . 0.0 110.864 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 t -152.73 139.3 18.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.87 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.15 -169.49 42.24 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.467 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -50.02 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.658 2.238 . . . . 0.0 112.322 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.3 mtp180 -127.94 152.37 47.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.487 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 20.6 mtpp -55.76 123.85 15.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 10' ' ' LYS . . . 70.89 42.17 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.146 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.9 t -117.91 148.87 41.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -110.56 -42.75 4.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.818 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -82.54 151.41 65.16 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.531 0.681 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 169.56 18.55 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.704 2.27 . . . . 0.0 112.3 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.5 Cg_endo -69.76 -26.43 27.56 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.763 2.309 . . . . 0.0 112.286 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 16' ' ' PRO . 18.4 mtm180 -37.85 -37.82 0.26 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -107.3 100.19 9.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -143.59 113.62 7.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.4 m -124.93 138.41 54.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.808 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.0 m -155.75 156.43 34.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -122.88 108.05 12.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.068 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.484 ' CG2' HG11 ' A' ' 142' ' ' VAL . 14.5 t -96.31 149.19 21.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.463 ' HB2' HD21 ' A' ' 69' ' ' LEU . 3.9 t -124.8 151.2 45.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.492 HG11 ' CD2' ' A' ' 146' ' ' TYR . 93.4 t -101.71 113.42 37.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.603 HD23 HD22 ' A' ' 37' ' ' LEU . 61.0 tp -98.43 104.03 16.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -116.7 142.25 47.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.563 ' HG2' HD12 ' A' ' 109' ' ' LEU . 81.0 mt-30 -130.18 147.77 67.07 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.611 0.72 . . . . 0.0 110.954 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 121.37 8.06 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.685 2.256 . . . . 0.0 112.319 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -114.84 170.34 13.22 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.458 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.84 -52.14 66.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.842 0.353 . . . . 0.0 111.14 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 84.8 mt -68.96 -42.76 76.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.1 -94.38 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -148.09 163.29 37.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.694 0.283 . . . . 0.0 111.148 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.561 ' HG3' HG22 ' A' ' 126' ' ' THR . 1.1 mp0 -151.51 138.36 18.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.481 HD11 ' HA ' ' A' ' 127' ' ' GLN . 1.7 pt -100.7 175.67 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.122 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.603 HD22 HD23 ' A' ' 26' ' ' LEU . 27.9 tp -108.74 142.73 38.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.485 ' CD2' ' HB3' ' A' ' 51' ' ' TRP . 8.3 tp -136.14 137.88 41.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.413 HG12 ' HB2' ' A' ' 122' ' ' ALA . 27.7 m -131.09 139.49 50.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.144 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -70.48 156.22 39.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -95.08 153.93 39.7 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.661 0.743 . . . . 0.0 110.83 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 160.35 50.0 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.613 2.209 . . . . 0.0 112.361 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -72.01 89.12 1.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.0 m -173.31 123.81 0.39 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.74 164.32 38.96 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.436 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.628 HD23 ' H ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -58.52 157.03 9.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.815 0.341 . . . . 0.0 110.963 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.45 ' O ' HD23 ' A' ' 50' ' ' LEU . 2.8 mp 53.53 49.98 18.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -87.63 139.63 30.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.048 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.781 ' C ' HD22 ' A' ' 50' ' ' LEU . . . 88.73 46.99 4.38 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.471 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.781 HD22 ' C ' ' A' ' 49' ' ' GLY . 2.5 mm? -123.95 149.71 45.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.791 0.329 . . . . 0.0 110.902 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.485 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 57.9 m95 -75.79 108.65 8.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -132.82 160.4 37.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.701 ' CZ ' ' CE2' ' A' ' 130' ' ' PHE . 25.1 m-85 -67.04 145.5 98.87 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.573 0.701 . . . . 0.0 110.965 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 139.66 40.73 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.625 2.216 . . . . 0.0 112.377 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 65.2 p -146.69 172.04 14.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.455 HG12 ' HB2' ' A' ' 72' ' ' GLU . 9.8 m -129.33 178.66 4.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.5 t -65.09 145.8 55.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 76.6 t90 -56.26 153.88 8.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.974 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -138.22 130.6 16.17 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.613 0.721 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -27.48 26.26 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.59 2.193 . . . . 0.0 112.355 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.6 m -94.06 150.28 20.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -68.86 -35.46 76.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -77.95 -57.42 3.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.964 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.8 mp -41.07 -42.46 1.97 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.95 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.452 ' NE2' ' HA ' ' A' ' 65' ' ' GLN . 0.0 OUTLIER -56.92 -54.0 51.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.893 179.919 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.452 ' NH2' ' O ' ' A' ' 85' ' ' LEU . 60.7 mtp180 -67.1 -32.25 73.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 56.6 mttt -58.2 -55.58 33.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 71' ' ' GLN . . . -74.0 -48.35 30.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.12 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.823 HD23 HD21 ' A' ' 85' ' ' LEU . 53.2 tp -33.71 -36.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 68' ' ' ALA . 94.8 mt -85.65 -44.35 12.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.846 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 68' ' ' ALA . 2.3 pt20 -40.96 -31.36 0.17 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.455 ' HB2' HG12 ' A' ' 56' ' ' VAL . 13.3 tt0 -85.42 -54.38 4.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.82 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.9 mt -42.79 -52.61 4.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -49.66 -43.17 46.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 53.2 mtp85 -55.43 -27.5 48.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 89.2 m95 -90.6 -69.09 0.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -79.21 -73.46 0.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.106 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 156.62 -106.69 0.3 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.464 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.727 ' O ' HD22 ' A' ' 80' ' ' LEU . 53.6 Cg_endo -69.79 115.47 4.11 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.62 2.213 . . . . 0.0 112.372 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.727 HD22 ' O ' ' A' ' 79' ' ' PRO . 3.9 mm? -128.2 127.67 23.75 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.635 0.731 . . . . 0.0 110.871 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.439 ' HG2' HD21 ' A' ' 107' ' ' LEU . 53.8 Cg_endo -69.7 -172.92 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.674 2.25 . . . . 0.0 112.384 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -131.47 -56.02 1.02 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.057 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 40.0 p -59.17 -23.38 62.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 4.2 m170 -72.59 -40.32 66.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.846 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.823 HD21 HD23 ' A' ' 69' ' ' LEU . 56.4 tp -57.64 128.49 37.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.962 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 46.7 mtt85 -145.55 128.14 16.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.471 ' HB2' ' CE1' ' A' ' 105' ' ' TYR . 18.0 t-80 -70.14 122.07 18.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.411 ' O ' HG12 ' A' ' 145' ' ' VAL . 30.5 mt -121.96 94.25 4.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.946 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.444 ' O ' ' NE2' ' A' ' 87' ' ' HIS . . . 69.27 -172.8 37.27 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.516 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -144.58 171.1 14.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.865 0.364 . . . . 0.0 110.901 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.84 HG21 ' HA ' ' A' ' 142' ' ' VAL . 52.2 t -143.34 109.24 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.138 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 44.5 t -120.79 108.93 23.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -101.17 115.13 29.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.444 HG22 ' HG3' ' A' ' 99' ' ' LYS . 2.1 p -87.3 109.82 19.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.551 ' CD2' HD23 ' A' ' 100' ' ' LEU . 80.2 m-85 -82.1 175.41 10.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 18.8 m -44.53 -75.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.401 ' C ' HG13 ' A' ' 98' ' ' ILE . 4.6 p-80 -113.59 24.82 11.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.401 HG13 ' C ' ' A' ' 97' ' ' HIS . 18.2 mt -139.58 150.61 22.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.161 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.444 ' HG3' HG22 ' A' ' 94' ' ' THR . 1.0 OUTLIER -124.93 117.9 25.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.917 179.834 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.551 HD23 ' CD2' ' A' ' 95' ' ' PHE . 3.8 mm? -108.8 140.49 42.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 27.7 m -130.08 107.43 9.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.089 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -106.45 133.96 50.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -100.58 118.19 36.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.641 HG22 HG13 ' A' ' 142' ' ' VAL . 58.0 t -75.24 121.79 27.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.124 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.618 ' HB3' HD11 ' A' ' 85' ' ' LEU . 19.2 m-85 -132.17 106.75 8.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.448 ' O ' HD12 ' A' ' 85' ' ' LEU . . . -79.53 146.76 29.04 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.483 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.521 ' C ' HD13 ' A' ' 107' ' ' LEU . 2.2 tm? -166.05 115.67 0.98 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.789 0.328 . . . . 0.0 110.889 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.421 ' N ' HD13 ' A' ' 107' ' ' LEU . . . -136.92 155.39 49.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.592 HD22 ' HB2' ' A' ' 112' ' ' GLN . 84.9 mt -92.42 101.58 14.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.913 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -70.36 -48.77 54.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -156.41 42.48 0.55 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.514 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.592 ' HB2' HD22 ' A' ' 109' ' ' LEU . 22.0 mt-30 -103.38 -176.11 2.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.77 0.319 . . . . 0.0 110.947 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 82.5 p -72.33 136.89 81.26 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.591 0.71 . . . . 0.0 111.098 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 167.57 24.11 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.67 2.247 . . . . 0.0 112.342 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.763 HG22 HG22 ' A' ' 117' ' ' THR . 5.5 p -98.56 -42.63 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.081 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.41 ' N ' HG13 ' A' ' 115' ' ' VAL . 29.4 p 39.36 41.43 0.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.106 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.763 HG22 HG22 ' A' ' 115' ' ' VAL . 9.7 t -165.47 155.22 12.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.601 ' CG2' ' HB3' ' A' ' 122' ' ' ALA . 13.5 p -175.71 135.99 0.49 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.577 0.703 . . . . 0.0 111.169 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.461 ' HD2' HG23 ' A' ' 118' ' ' VAL . 53.6 Cg_endo -69.68 170.06 17.35 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.702 2.268 . . . . 0.0 112.395 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 1.92 4.0 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.719 2.28 . . . . 0.0 112.33 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -114.06 14.97 21.23 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.449 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.601 ' HB3' ' CG2' ' A' ' 118' ' ' VAL . . . -142.95 147.26 34.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.742 0.306 . . . . 0.0 111.074 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.451 ' NH2' ' CG ' ' A' ' 51' ' ' TRP . 15.0 ptt180 -136.57 149.28 48.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 36.5 m95 -109.51 113.12 25.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.409 HD21 HD22 ' A' ' 38' ' ' LEU . 1.5 pp -130.95 169.98 15.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.991 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' THR . . . . . 0.561 HG22 ' HG3' ' A' ' 35' ' ' GLN . 26.1 p -80.3 159.66 25.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.135 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.481 ' HA ' HD11 ' A' ' 36' ' ' ILE . 18.5 mt-30 -54.5 -37.6 65.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -68.02 -50.41 55.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -53.59 -36.62 62.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.701 ' CE2' ' CZ ' ' A' ' 53' ' ' PHE . 6.6 t80 -62.28 -53.9 48.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -40.06 -48.13 2.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.838 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 72.9 p -74.31 -37.49 63.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.12 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.62 ' O ' HG23 ' A' ' 135' ' ' VAL . . . -47.65 145.6 2.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.136 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.508 ' HB1' HD12 ' A' ' 50' ' ' LEU . . . -65.75 100.62 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.004 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.694 HG12 ' HB2' ' A' ' 139' ' ' MET . 1.7 t -136.41 152.15 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.168 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 22.7 t -64.77 161.28 18.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.804 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 52.2 m -53.65 -55.92 21.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.111 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.474 ' O ' HG23 ' A' ' 142' ' ' VAL . . . -50.68 -63.75 1.03 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' MET . . . . . 0.694 ' HB2' HG12 ' A' ' 135' ' ' VAL . 29.5 mmm -46.54 -36.51 6.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -71.82 -44.1 64.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.476 ' O ' HG23 ' A' ' 145' ' ' VAL . 3.3 ptmm? -81.02 -9.56 59.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.84 ' HA ' HG21 ' A' ' 91' ' ' VAL . 5.1 t -77.56 -23.84 14.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.505 ' O ' ' N ' ' A' ' 146' ' ' TYR . 66.3 t80 -76.36 -66.28 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 143' ' ' PHE . 5.6 ptm180 -38.27 -28.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 141' ' ' LYS . 99.4 t -76.68 -42.38 34.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 146' ' ' TYR . . . . . 0.505 ' N ' ' O ' ' A' ' 143' ' ' PHE . 1.6 t80 -58.98 -54.86 42.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 147' ' ' GLN . . . . . 0.446 ' O ' ' C ' ' A' ' 148' ' ' GLY . 33.2 mm-40 -61.05 -41.95 97.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.879 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 148' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 147' ' ' GLN . . . -33.97 -53.4 0.69 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.509 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 149' ' ' GLN . . . . . 0.409 ' HB2' HD13 ' A' ' 88' ' ' LEU . 25.9 mm100 -95.76 43.36 1.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 0.0 110.95 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 150' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 147' ' ' GLN . 35.2 t -174.73 119.4 0.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.758 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -165.35 157.24 29.64 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.485 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.79 -173.52 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.659 2.239 . . . . 0.0 112.304 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 1.2 t -81.4 104.93 12.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 53.6 p -108.04 163.42 13.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.872 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.471 179.992 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.474 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.155 0 CA-C-O 120.831 0.263 . . . . 0.0 112.381 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.474 ' C ' ' O ' ' A' ' 16' ' ' PRO . 61.8 mtt180 -32.15 -53.98 0.3 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.831 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -97.14 100.24 11.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -139.82 113.47 8.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.4 m -121.73 140.4 52.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.801 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.1 m -150.45 153.12 35.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.893 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.504 ' CB ' ' CD ' ' A' ' 65' ' ' GLN . . . -118.03 105.06 11.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.9 t -97.56 148.61 23.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.639 ' HB2' HD11 ' A' ' 69' ' ' LEU . 52.8 t -129.06 153.81 47.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.585 HG11 ' CE2' ' A' ' 146' ' ' TYR . 48.6 t -109.39 115.4 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.116 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 30.1 tp -98.85 127.64 44.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.522 ' HB2' HG22 ' A' ' 36' ' ' ILE . 19.8 tt0 -134.55 148.77 50.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.501 ' HG2' ' CZ3' ' A' ' 124' ' ' TRP . 7.9 pt20 -142.86 148.04 44.21 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.662 0.744 . . . . 0.0 110.854 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 139.43 40.1 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.792 2.328 . . . . 0.0 112.319 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -144.72 175.77 24.21 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.451 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -43.83 -59.67 2.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.821 0.343 . . . . 0.0 111.138 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 24.8 mt -56.58 -49.23 75.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.72 -64.97 0.14 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -170.04 125.02 0.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.806 0.336 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.08 146.97 44.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.522 HG22 ' HB2' ' A' ' 27' ' ' GLU . 5.3 pt -98.82 174.37 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.554 HD11 ' HB1' ' A' ' 122' ' ' ALA . 6.9 tp -107.59 148.45 29.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.8 HD22 HD21 ' A' ' 125' ' ' LEU . 10.5 tp -143.16 120.84 11.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.6 m -108.45 152.23 10.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -114.95 143.98 44.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? . . . . . 0 C--N 1.33 -0.267 0 CA-C-O 121.639 0.733 . . . . 0.0 110.834 -179.869 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.793 0.33 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.539 ' O ' HG13 ' A' ' 135' ' ' VAL . 87.6 m95 -96.63 134.28 40.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.453 ' HA ' HD11 ' A' ' 38' ' ' LEU . 4.5 pt-20 -170.45 154.6 4.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.932 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.557 ' CZ ' ' CE1' ' A' ' 130' ' ' PHE . 7.7 m-85 -55.32 150.95 20.51 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.641 0.734 . . . . 0.0 110.841 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 144.12 52.87 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.717 2.278 . . . . 0.0 112.288 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.1 p -145.49 169.03 19.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.449 ' CG2' HE22 ' A' ' 65' ' ' GLN . 4.8 m -135.94 170.13 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.4 t -54.82 158.41 2.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 85.3 t90 -79.26 140.13 37.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.406 ' HB2' ' CA ' ' A' ' 65' ' ' GLN . 8.5 mm-40 -122.14 138.57 29.09 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.672 0.748 . . . . 0.0 110.849 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 -34.02 15.74 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.667 2.245 . . . . 0.0 112.339 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.8 t -89.57 132.87 34.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.89 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -57.9 -16.63 12.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.958 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -92.54 -49.48 6.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.5 mp -53.9 -37.15 63.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.504 ' CD ' ' CB ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -62.82 -57.17 11.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 -58.74 -45.32 89.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -51.32 -67.03 0.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.88 -38.22 84.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.071 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.639 HD11 ' HB2' ' A' ' 24' ' ' CYS . 24.5 tp -48.94 -41.09 32.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 71' ' ' GLN . 78.3 mt -74.22 -47.91 32.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 70' ' ' LEU . 10.3 mt-30 -36.49 -53.92 0.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.421 ' HB2' HG12 ' A' ' 56' ' ' VAL . 17.8 tp10 -57.93 -55.8 30.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 18.7 mt -45.95 -48.95 16.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -53.5 -41.92 66.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.974 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -50.72 -33.75 24.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.445 ' CE3' ' HB2' ' A' ' 122' ' ' ALA . 72.0 m95 -87.24 -71.57 0.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.943 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.98 -70.99 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.045 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 145.5 -99.43 0.21 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.48 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.426 ' C ' HD22 ' A' ' 80' ' ' LEU . 53.9 Cg_endo -69.69 108.76 2.14 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.722 2.281 . . . . 0.0 112.374 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.426 HD22 ' C ' ' A' ' 79' ' ' PRO . 4.5 mm? -121.52 134.55 24.59 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.576 0.703 . . . . 0.0 110.96 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.787 ' HG2' HD21 ' A' ' 107' ' ' LEU . 54.0 Cg_endo -69.75 -179.82 3.17 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.715 2.276 . . . . 0.0 112.316 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -125.94 -54.09 1.52 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.003 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 56.1 m -64.58 -31.23 72.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.182 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -64.48 -20.97 66.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.531 HD21 HD23 ' A' ' 69' ' ' LEU . 33.4 tp -73.59 133.24 43.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 -152.71 133.93 14.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.588 ' C ' HD23 ' A' ' 88' ' ' LEU . 6.3 t-80 -73.9 125.7 28.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.588 HD23 ' C ' ' A' ' 87' ' ' HIS . 1.9 mt -123.59 94.13 4.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 62.21 -169.09 14.48 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.547 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -147.71 170.36 17.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.912 0.387 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 32.0 t -139.34 108.7 3.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.174 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.467 HG22 ' HA ' ' A' ' 101' ' ' THR . 42.9 t -118.86 108.79 24.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.073 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 43.5 t60 -99.17 129.57 45.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.36 112.7 24.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.185 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -84.72 -175.07 5.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.4 m -50.98 -64.49 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.85 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.517 ' O ' ' CG ' ' A' ' 97' ' ' HIS . 0.4 OUTLIER -128.17 31.35 5.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.808 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.526 ' CG2' ' N ' ' A' ' 99' ' ' LYS . 18.7 mt -138.99 159.39 29.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.153 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.526 ' N ' ' CG2' ' A' ' 98' ' ' ILE . 2.2 tmtt? -135.12 118.37 16.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -110.03 143.21 40.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.467 ' HA ' HG22 ' A' ' 92' ' ' VAL . 21.8 m -127.92 100.69 6.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.133 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -100.86 131.97 46.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.905 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -98.9 112.62 24.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.932 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.601 HG22 HG13 ' A' ' 142' ' ' VAL . 47.9 t -70.66 127.63 32.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.188 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.442 ' CE1' ' HB2' ' A' ' 87' ' ' HIS . 14.8 m-85 -134.35 135.83 42.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -112.23 137.07 14.0 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.452 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.787 HD21 ' HG2' ' A' ' 81' ' ' PRO . 1.8 tm? -152.0 114.25 4.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.875 0.369 . . . . 0.0 110.942 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.493 ' N ' HD13 ' A' ' 107' ' ' LEU . . . -133.5 151.93 51.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.035 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 43.7 mt -93.54 103.41 15.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.958 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.83 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.159 0 CA-C-O 120.831 0.263 . . . . 0.0 112.333 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.3 p -109.26 -36.82 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.9 p 40.5 31.91 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.095 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 95.8 m -155.43 143.16 19.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.115 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.591 HG22 ' HB3' ' A' ' 122' ' ' ALA . 6.1 p -171.88 136.2 0.92 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.655 0.74 . . . . 0.0 111.118 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 118' ' ' VAL . 53.7 Cg_endo -69.81 169.89 17.92 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.722 2.282 . . . . 0.0 112.354 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 1.24 4.58 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.67 2.247 . . . . 0.0 112.35 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -107.77 1.07 34.03 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.499 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.591 ' HB3' HG22 ' A' ' 118' ' ' VAL . . . -133.53 138.79 46.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.78 0.324 . . . . 0.0 111.093 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.429 ' NH1' ' HB2' ' A' ' 123' ' ' ARG . 0.5 OUTLIER -126.56 141.12 51.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.826 -179.917 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' TRP . . . . . 0.501 ' CZ3' ' HG2' ' A' ' 28' ' ' GLN . 46.1 m95 -99.05 106.27 18.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.8 HD21 HD22 ' A' ' 38' ' ' LEU . 2.5 pp -117.35 169.9 9.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 5.8 p -87.44 -179.44 6.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -66.49 -43.69 84.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -73.5 -22.77 60.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -77.38 -34.24 54.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.659 ' O ' ' HB3' ' A' ' 133' ' ' ALA . 13.2 t80 -61.29 -55.21 34.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -44.05 -61.49 1.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.851 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 71.4 p -56.5 -19.07 13.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.106 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.659 ' HB3' ' O ' ' A' ' 130' ' ' PHE . . . -72.67 142.53 48.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.144 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.89 99.04 0.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.046 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.683 HG12 ' HB2' ' A' ' 139' ' ' MET . 1.1 t -126.81 140.92 47.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.184 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 137' ' ' THR . 3.5 p -68.3 140.1 55.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.489 HG22 ' HD2' ' A' ' 141' ' ' LYS . 44.1 m -34.9 -60.38 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.091 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 137' ' ' THR . . . -36.02 -58.65 0.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' MET . . . . . 0.683 ' HB2' HG12 ' A' ' 135' ' ' VAL . 44.1 mmm -61.25 -52.87 62.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -49.02 -23.07 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.81 ' O ' HG23 ' A' ' 145' ' ' VAL . 21.6 mtpp -84.14 -33.79 24.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.834 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.601 HG13 HG22 ' A' ' 104' ' ' VAL . 90.5 t -64.72 -34.12 67.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.145 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.52 ' CE2' ' CD ' ' A' ' 147' ' ' GLN . 85.8 t80 -62.86 -65.65 0.66 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.835 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -44.4 -33.07 1.54 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 141' ' ' LYS . 41.0 t -74.04 -43.34 51.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . 0.585 ' CE2' HG11 ' A' ' 25' ' ' VAL . 3.9 t80 -65.12 -31.34 72.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . 0.52 ' CD ' ' CE2' ' A' ' 143' ' ' PHE . 60.4 mt-30 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.178 0 CA-C-O 120.755 0.231 . . . . 0.0 112.315 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 16' ' ' PRO . 23.7 mtp180 -34.75 -69.6 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.835 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -79.57 100.22 7.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -145.57 113.36 6.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.435 ' OG ' ' CB ' ' A' ' 58' ' ' TRP . 41.5 p -115.39 151.46 34.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.505 ' OG ' ' CE1' ' A' ' 102' ' ' TYR . 15.8 p -156.81 155.76 32.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.815 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -125.18 106.27 9.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.464 HG21 HG21 ' A' ' 142' ' ' VAL . 8.9 t -103.56 147.05 27.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.558 ' HB2' HD21 ' A' ' 69' ' ' LEU . 7.9 t -131.6 155.76 46.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 84.3 t -103.46 123.5 57.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.046 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.602 HD13 HD11 ' A' ' 80' ' ' LEU . 34.6 tp -108.91 109.22 20.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.956 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -119.16 145.16 46.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.805 ' HG2' HD12 ' A' ' 109' ' ' LEU . 79.6 mt-30 -138.11 141.41 32.08 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.611 0.719 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 120.41 7.21 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.635 2.223 . . . . 0.0 112.349 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -123.65 165.3 16.47 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.472 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.58 -56.57 2.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.852 0.358 . . . . 0.0 111.075 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.6 mt -57.69 -36.04 71.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 159.75 -71.73 0.23 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.543 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -172.99 139.36 0.83 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.848 0.356 . . . . 0.0 111.088 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -136.34 154.41 50.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.6 pt -104.52 172.48 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.486 HD22 HD23 ' A' ' 26' ' ' LEU . 4.3 tp -107.36 137.16 45.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.567 HD22 HD21 ' A' ' 125' ' ' LEU . 12.0 tp -128.65 121.71 29.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.433 HG11 ' CE2' ' A' ' 76' ' ' TRP . 20.4 m -104.63 137.05 35.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -95.15 149.03 21.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.889 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 121.531 0.681 . . . . 0.0 110.892 -179.939 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.722 0.296 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.508 ' CZ3' ' HG2' ' A' ' 123' ' ' ARG . 90.7 m95 -91.43 140.97 29.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.893 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -172.01 176.43 3.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.858 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.403 ' CD1' ' CD1' ' A' ' 38' ' ' LEU . 21.5 m-85 -78.73 152.21 77.48 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.572 0.701 . . . . 0.0 110.883 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 142.98 49.5 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 122.653 2.235 . . . . 0.0 112.295 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.7 p -142.85 150.5 39.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.821 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.5 m -117.94 -176.93 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.21 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.9 p -71.53 133.12 45.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.435 ' CB ' ' OG ' ' A' ' 20' ' ' SER . 83.8 t90 -52.25 155.47 1.99 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -141.24 133.61 14.06 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.598 0.713 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -10.6 28.95 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.664 2.243 . . . . 0.0 112.328 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.536 ' CB ' HD22 ' A' ' 64' ' ' LEU . 2.6 t -119.42 128.13 53.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.814 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -51.11 -33.77 27.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -73.19 -53.38 11.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.937 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.536 HD22 ' CB ' ' A' ' 61' ' ' SER . 0.9 OUTLIER -50.59 -32.48 18.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -71.03 -60.05 2.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.952 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.555 ' HB3' HD23 ' A' ' 85' ' ' LEU . 36.5 mtm180 -59.59 -19.36 48.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -75.52 -60.84 2.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.835 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.63 -27.57 63.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.07 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.731 HD23 HD21 ' A' ' 85' ' ' LEU . 14.0 tp -50.13 -56.46 10.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.713 HD22 ' HB3' ' A' ' 80' ' ' LEU . 73.8 mt -60.95 -46.75 89.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.958 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -38.97 -44.28 1.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -73.26 -50.26 23.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.853 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 47.8 mt -49.18 -51.43 32.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -48.66 -38.22 20.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.947 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -57.29 -32.74 66.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.825 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.433 ' CE2' HG11 ' A' ' 39' ' ' VAL . 70.2 m95 -87.29 -69.4 0.69 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.921 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -79.67 -71.18 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.113 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 147.84 -98.51 0.19 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.47 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.426 ' O ' HD22 ' A' ' 80' ' ' LEU . 53.7 Cg_endo -69.75 106.86 1.73 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.754 2.303 . . . . 0.0 112.285 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.713 ' HB3' HD22 ' A' ' 70' ' ' LEU . 4.4 mm? -123.27 120.27 27.27 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.59 0.709 . . . . 0.0 110.866 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.474 ' HG2' HD21 ' A' ' 107' ' ' LEU . 53.9 Cg_endo -69.74 167.5 24.23 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.729 2.286 . . . . 0.0 112.281 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -101.35 -70.06 0.76 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 79.5 p -43.91 -49.94 8.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -43.72 -41.67 4.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.731 HD21 HD23 ' A' ' 69' ' ' LEU . 22.9 tp -59.22 131.21 50.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 32.2 mtm180 -147.66 147.78 30.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -87.37 115.97 25.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.5 mt -117.31 95.73 5.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 61.33 -171.99 7.8 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.486 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -145.43 171.0 15.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.957 0.408 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.427 HG23 ' CG2' ' A' ' 104' ' ' VAL . 47.9 t -141.24 105.25 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.645 HG13 ' O ' ' A' ' 100' ' ' LEU . 97.8 t -120.14 109.33 25.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 57.8 t60 -98.89 121.86 41.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 30.7 m -90.59 111.17 22.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -85.11 -177.25 6.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 53.1 m -49.09 -72.52 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.825 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.495 ' CD2' HG13 ' A' ' 98' ' ' ILE . 18.5 p-80 -117.63 17.89 14.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.816 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.495 HG13 ' CD2' ' A' ' 97' ' ' HIS . 24.6 mt -129.48 152.92 37.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.568 ' HE2' HG11 ' A' ' 92' ' ' VAL . 2.2 tmtt? -133.14 118.16 18.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.645 ' O ' HG13 ' A' ' 92' ' ' VAL . 4.1 mm? -105.88 144.93 31.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.871 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.411 ' HA ' HG22 ' A' ' 92' ' ' VAL . 85.7 m -131.16 104.34 7.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.505 ' CE1' ' OG ' ' A' ' 21' ' ' SER . 65.9 m-85 -106.61 130.24 54.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.957 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -94.01 111.07 22.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.427 ' CG2' HG23 ' A' ' 91' ' ' VAL . 90.2 t -70.37 123.04 23.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.055 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -130.53 138.42 50.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.933 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -109.48 132.75 11.23 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.469 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.576 ' C ' HD13 ' A' ' 107' ' ' LEU . 2.4 tm? -145.61 106.37 4.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.802 0.334 . . . . 0.0 110.947 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -130.34 144.2 51.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.094 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.805 HD12 ' HG2' ' A' ' 28' ' ' GLN . 60.9 mt -85.4 105.25 15.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.933 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 179.961 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.14 0 CA-C-O 120.848 0.27 . . . . 0.0 112.302 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 6.8 p -97.59 -33.5 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.7 p 38.94 37.12 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.157 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 18.9 m -165.76 154.8 11.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.607 ' CG2' ' HB3' ' A' ' 122' ' ' ALA . 9.2 p -167.46 137.38 2.28 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.674 0.749 . . . . 0.0 111.109 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.568 ' HD2' HG23 ' A' ' 118' ' ' VAL . 54.2 Cg_endo -69.81 166.4 27.77 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.704 2.269 . . . . 0.0 112.362 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.65 100.3 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.73 2.286 . . . . 0.0 112.371 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 142.27 -13.69 2.54 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.47 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.607 ' HB3' ' CG2' ' A' ' 118' ' ' VAL . . . -114.41 155.4 26.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.815 0.341 . . . . 0.0 111.106 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.508 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 1.8 ptp180 -139.4 141.85 37.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.858 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 24.0 m95 -101.85 110.01 21.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.567 HD21 HD22 ' A' ' 38' ' ' LEU . 2.3 pp -124.81 169.71 11.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 11.1 p -84.32 177.01 8.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -66.19 -30.66 71.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -79.19 -48.41 14.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -56.55 -20.77 22.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.809 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.504 ' CE1' HG21 ' A' ' 135' ' ' VAL . 27.5 t80 -72.05 -63.49 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . 0.41 ' C ' ' O ' ' A' ' 130' ' ' PHE . 3.6 m-70 -36.85 -46.82 0.65 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 81.3 p -67.38 -47.81 69.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.126 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.441 ' O ' HG23 ' A' ' 135' ' ' VAL . . . -45.04 155.11 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.096 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -72.68 102.92 3.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.152 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.712 HG12 ' HB2' ' A' ' 139' ' ' MET . 1.1 t -131.02 148.07 33.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.196 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 40.3 t -76.66 152.34 35.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.0 0.429 . . . . 0.0 110.797 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.659 HG22 ' HD2' ' A' ' 141' ' ' LYS . 25.4 m -42.25 -67.77 0.24 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.167 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 137' ' ' THR . . . -37.57 -58.83 0.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' MET . . . . . 0.712 ' HB2' HG12 ' A' ' 135' ' ' VAL . 47.8 mmm -54.09 -56.26 19.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 17.0 mtpt -48.56 -30.62 5.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.968 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.659 ' HD2' HG22 ' A' ' 137' ' ' THR . 17.9 mtpt -77.2 -28.59 53.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.464 HG21 HG21 ' A' ' 23' ' ' THR . 18.7 t -64.89 -15.91 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.464 ' CE2' ' NE2' ' A' ' 147' ' ' GLN . 75.7 t80 -83.94 -53.68 5.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.417 ' NH1' ' HB2' ' A' ' 144' ' ' ARG . 0.4 OUTLIER -60.35 -19.58 56.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.904 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 141' ' ' LYS . 69.9 t -86.05 -27.15 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -76.3 -36.28 58.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . 0.464 ' NE2' ' CE2' ' A' ' 143' ' ' PHE . 40.0 mt-30 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.94 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.14 0 CA-C-O 120.782 0.243 . . . . 0.0 112.389 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 16' ' ' PRO . 36.1 mtp180 -35.34 -50.5 0.56 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.842 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -96.92 100.15 11.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -140.45 113.55 8.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.8 m -123.87 139.34 54.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.2 m -154.38 152.99 30.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.817 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.587 ' CB ' ' NE2' ' A' ' 65' ' ' GLN . . . -116.67 111.86 20.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.083 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.429 HG23 HG11 ' A' ' 142' ' ' VAL . 14.0 t -104.03 149.44 25.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.693 ' HB2' HD21 ' A' ' 69' ' ' LEU . 1.5 t -128.78 159.3 36.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.85 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.472 ' N ' ' SG ' ' A' ' 24' ' ' CYS . 62.3 t -110.28 101.33 12.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.152 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.632 HD13 HD11 ' A' ' 80' ' ' LEU . 19.2 tp -87.27 120.0 28.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.488 ' OE1' ' NE2' ' A' ' 127' ' ' GLN . 29.0 tt0 -128.59 137.93 51.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.414 ' NE2' ' CG1' ' A' ' 115' ' ' VAL . 3.7 pt20 -120.26 143.82 36.62 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.627 0.727 . . . . 0.0 110.944 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 118.42 5.67 Favored 'Trans proline' 0 N--CA 1.466 -0.11 0 C-N-CA 122.75 2.3 . . . . 0.0 112.332 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -116.83 175.71 15.86 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.529 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.87 -62.5 1.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.822 0.344 . . . . 0.0 111.114 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.2 mt -51.99 -44.07 63.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.45 -75.55 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.444 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -170.91 148.01 2.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.668 0.27 . . . . 0.0 111.179 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -135.95 150.44 49.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.423 HD11 ' HA ' ' A' ' 127' ' ' GLN . 2.8 pt -104.3 177.12 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.502 HD22 HD23 ' A' ' 26' ' ' LEU . 18.8 tp -109.28 145.84 35.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.413 ' CD1' ' CD1' ' A' ' 53' ' ' PHE . 10.2 tp -143.0 126.69 16.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.445 HG11 ' CE2' ' A' ' 76' ' ' TRP . 29.2 m -110.8 139.72 33.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.543 ' HB3' ' CE3' ' A' ' 51' ' ' TRP . 8.1 pt20 -92.1 161.74 14.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.963 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.1 mtt180 . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 121.6 0.714 . . . . 0.0 110.875 -179.901 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.479 HD22 ' N ' ' A' ' 50' ' ' LEU . 1.5 mm? . . . . . 0 C--O 1.23 0.036 0 CA-C-O 120.834 0.35 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.543 ' CE3' ' HB3' ' A' ' 40' ' ' GLN . 90.2 m95 -90.29 134.26 34.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.826 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.408 ' HA ' HD11 ' A' ' 38' ' ' LEU . 8.0 pt-20 -160.62 169.59 22.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.413 ' CD1' ' CD1' ' A' ' 38' ' ' LEU . 18.2 m-85 -69.42 146.62 96.53 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.63 0.729 . . . . 0.0 110.917 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 142.3 47.35 Favored 'Trans proline' 0 C--N 1.34 0.115 0 C-N-CA 122.66 2.24 . . . . 0.0 112.299 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 45.8 p -146.64 165.7 28.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.3 m -128.43 171.99 15.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.9 t -53.72 158.75 1.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.115 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 79.3 t90 -78.08 146.08 35.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.492 ' OE1' ' NE2' ' A' ' 65' ' ' GLN . 38.7 mp0 -122.38 136.08 26.16 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.669 0.747 . . . . 0.0 110.915 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -21.21 33.58 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.667 2.244 . . . . 0.0 112.298 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 t -99.68 165.83 11.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.827 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -88.03 -20.34 25.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.955 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.6 tp60 -91.47 -42.72 10.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.3 mp -61.44 -34.96 76.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.587 ' NE2' ' CB ' ' A' ' 22' ' ' ALA . 26.2 tp60 -55.81 -48.87 74.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.449 ' HB3' ' CD2' ' A' ' 85' ' ' LEU . 19.0 mtp180 -74.3 -43.7 55.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.6 mttm -52.37 -43.29 64.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -81.82 -40.19 22.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.188 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.693 HD21 ' HB2' ' A' ' 24' ' ' CYS . 21.8 tp -51.15 -42.32 60.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 72' ' ' GLU . 84.0 mt -71.94 -50.61 27.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.437 ' HG3' ' N ' ' A' ' 72' ' ' GLU . 1.5 pp0? -35.5 -31.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.964 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 70' ' ' LEU . 6.5 tp10 -82.96 -54.79 4.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.486 HD12 HD23 ' A' ' 70' ' ' LEU . 16.8 mt -42.89 -50.88 5.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -51.81 -46.55 64.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 25.8 mtm180 -47.66 -30.16 3.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.445 ' CE2' HG11 ' A' ' 39' ' ' VAL . 72.2 m95 -90.24 -74.68 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.422 ' HA ' HG21 ' A' ' 115' ' ' VAL . . . -73.66 -72.78 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 152.94 -103.29 0.24 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.593 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.656 ' O ' HD22 ' A' ' 80' ' ' LEU . 53.6 Cg_endo -69.78 116.67 4.67 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.704 2.269 . . . . 0.0 112.295 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.656 HD22 ' O ' ' A' ' 79' ' ' PRO . 4.3 mm? -129.69 133.73 25.39 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.633 0.73 . . . . 0.0 110.875 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.675 ' HG2' HD21 ' A' ' 107' ' ' LEU . 54.0 Cg_endo -69.75 -174.14 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.656 2.237 . . . . 0.0 112.344 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -130.07 -52.81 1.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.097 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 27.9 m -61.77 -37.45 84.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.178 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -55.63 -49.08 73.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.449 ' CD2' ' HB3' ' A' ' 66' ' ' ARG . 6.0 tp -49.2 122.44 6.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -134.2 154.95 50.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.789 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 -90.68 121.7 32.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 35.9 mt -122.29 90.96 3.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 59.41 -167.26 8.09 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.504 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -148.69 168.71 22.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.859 0.361 . . . . 0.0 110.899 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.441 HG23 ' CG2' ' A' ' 104' ' ' VAL . 40.8 t -137.64 106.53 4.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.073 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.517 HG22 ' HA ' ' A' ' 101' ' ' THR . 25.6 t -115.98 110.42 31.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.099 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 27.4 t60 -98.11 106.87 19.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.817 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.554 HG23 ' HZ2' ' A' ' 99' ' ' LYS . 31.1 m -82.72 114.96 21.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.478 ' N ' ' O ' ' A' ' 98' ' ' ILE . 35.7 m-85 -86.81 167.73 14.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.79 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 24.0 t -40.22 -66.35 0.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.84 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -115.28 3.24 14.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.888 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.529 ' CG2' ' N ' ' A' ' 99' ' ' LYS . 22.8 mt -121.2 160.58 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.554 ' HZ2' HG23 ' A' ' 94' ' ' THR . 0.0 OUTLIER -139.59 128.47 23.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.868 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.446 ' O ' HG13 ' A' ' 92' ' ' VAL . 3.2 mm? -113.63 144.65 42.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.517 ' HA ' HG22 ' A' ' 92' ' ' VAL . 29.5 m -128.54 106.58 9.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.097 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -110.05 130.08 55.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -95.46 111.48 23.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.604 HG11 HG12 ' A' ' 145' ' ' VAL . 60.9 t -70.28 125.46 28.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -139.46 135.9 34.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -112.13 136.51 13.57 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.527 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.675 HD21 ' HG2' ' A' ' 81' ' ' PRO . 1.6 tm? -147.79 113.88 5.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.812 0.339 . . . . 0.0 110.993 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.548 ' N ' HD13 ' A' ' 107' ' ' LEU . . . -130.68 144.26 51.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.06 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 43.8 mt -84.91 109.74 18.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.466 -0.134 0 CA-C-O 120.869 0.279 . . . . 0.0 112.312 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.569 HG22 ' H ' ' A' ' 117' ' ' THR . 2.8 p -106.68 -43.5 7.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.11 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 115' ' ' VAL . 14.9 p 35.49 34.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.196 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.569 ' H ' HG22 ' A' ' 115' ' ' VAL . 90.3 m -165.98 120.02 1.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.182 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.601 ' CG2' ' HB3' ' A' ' 122' ' ' ALA . 8.3 p -130.56 137.53 31.01 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.596 0.712 . . . . 0.0 111.172 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.558 ' HD2' HG23 ' A' ' 118' ' ' VAL . 53.8 Cg_endo -69.87 164.38 34.85 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.651 2.234 . . . . 0.0 112.317 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 102.8 1.06 Allowed 'Trans proline' 0 C--O 1.23 0.125 0 C-N-CA 122.697 2.264 . . . . 0.0 112.354 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 142.26 -16.67 2.52 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.476 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.601 ' HB3' ' CG2' ' A' ' 118' ' ' VAL . . . -106.58 165.36 11.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.759 0.314 . . . . 0.0 111.105 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.557 ' NE ' HD23 ' A' ' 125' ' ' LEU . 6.5 ttt180 -140.37 141.04 35.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.86 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' TRP . . . . . 0.493 ' NE1' HD13 ' A' ' 37' ' ' LEU . 35.0 m95 -114.2 105.94 13.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.989 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.557 HD23 ' NE ' ' A' ' 123' ' ' ARG . 1.3 pp -126.93 169.74 12.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 16.6 p -85.39 156.52 20.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.147 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.488 ' NE2' ' OE1' ' A' ' 27' ' ' GLU . 16.0 mp0 -44.2 -53.69 6.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.954 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -53.65 -46.88 70.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -56.01 -52.97 62.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.592 ' O ' ' HB3' ' A' ' 133' ' ' ALA . 29.1 t80 -38.69 -57.6 1.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.898 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -40.38 -61.32 0.93 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 22.5 p -58.55 -26.87 64.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.098 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.672 ' O ' HG23 ' A' ' 135' ' ' VAL . . . -63.52 144.84 56.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.082 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.62 98.94 0.4 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.139 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.718 HG12 ' HB2' ' A' ' 139' ' ' MET . 1.1 t -132.01 144.39 37.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 8.6 p -71.9 154.36 41.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.789 HG22 ' HD2' ' A' ' 141' ' ' LYS . 26.6 m -45.33 -60.86 1.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.091 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 137' ' ' THR . . . -37.52 -58.28 0.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.119 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' MET . . . . . 0.718 ' HB2' HG12 ' A' ' 135' ' ' VAL . 36.4 mmm -60.76 -51.54 68.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 11.5 mtpt -55.34 -17.45 4.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.789 ' HD2' HG22 ' A' ' 137' ' ' THR . 44.6 mtpt -90.37 -26.31 19.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.935 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.538 HG13 HG22 ' A' ' 104' ' ' VAL . 96.4 t -69.97 -28.75 37.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.136 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -73.14 -55.01 7.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -55.1 -22.3 15.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.836 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.604 HG12 HG11 ' A' ' 104' ' ' VAL . 25.0 t -88.37 -25.32 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.054 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -79.4 -33.62 42.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 -179.913 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.215 0 CA-C-O 120.752 0.23 . . . . 0.0 112.362 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.7 mtm180 -40.51 -51.66 2.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -91.36 100.24 13.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.956 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -148.66 113.57 5.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.4 m -120.51 144.51 48.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.7 m -157.12 151.63 25.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.812 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -115.37 114.46 25.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.132 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.453 HG21 HG21 ' A' ' 142' ' ' VAL . 2.6 t -107.32 145.45 32.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.094 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.458 ' HB2' HD21 ' A' ' 69' ' ' LEU . 6.2 t -129.71 158.61 38.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.444 ' N ' ' SG ' ' A' ' 24' ' ' CYS . 68.9 t -108.43 117.27 53.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.137 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 29.5 tp -100.83 126.29 47.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.924 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -131.73 159.28 38.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.829 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.451 ' HG2' ' CZ3' ' A' ' 124' ' ' TRP . 6.2 pt20 -151.66 150.21 25.87 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.635 0.731 . . . . 0.0 110.912 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 125.77 12.53 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.71 2.273 . . . . 0.0 112.376 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -120.08 -177.66 16.12 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.82 -61.07 2.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.339 . . . . 0.0 111.082 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.8 mt -62.72 -40.68 97.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.41 -81.13 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -167.41 141.05 3.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.807 0.337 . . . . 0.0 111.052 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.26 163.39 24.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.4 pt -113.12 174.68 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.423 HD11 ' HB1' ' A' ' 122' ' ' ALA . 11.2 tp -105.73 150.32 25.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.661 HD22 HD21 ' A' ' 125' ' ' LEU . 11.3 tp -141.75 133.87 27.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.975 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.3 m -115.62 139.16 43.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.517 ' HB2' ' CD2' ' A' ' 51' ' ' TRP . 7.4 tt0 -113.92 121.85 45.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 121.647 0.737 . . . . 0.0 110.832 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.864 0.364 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.552 ' CZ3' ' HD2' ' A' ' 123' ' ' ARG . 85.3 m95 -85.42 132.94 34.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.429 ' CB ' ' HG3' ' A' ' 139' ' ' MET . 3.0 pt-20 -163.14 161.52 25.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.673 ' CZ ' ' CE1' ' A' ' 130' ' ' PHE . 16.7 m-85 -61.93 144.19 93.94 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.669 0.747 . . . . 0.0 110.888 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 143.89 52.34 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.716 2.277 . . . . 0.0 112.342 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.6 p -145.19 164.21 32.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.449 HG12 ' HB2' ' A' ' 72' ' ' GLU . 15.0 m -124.97 -178.61 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.134 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.2 p -69.8 126.38 29.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.442 ' CH2' ' HA ' ' A' ' 60' ' ' PRO . 88.4 t90 -44.7 158.42 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.966 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -140.76 136.53 16.42 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.599 0.714 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.442 ' HA ' ' CH2' ' A' ' 58' ' ' TRP . 54.1 Cg_endo -69.67 -22.39 32.56 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.738 2.292 . . . . 0.0 112.334 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.412 ' CB ' HD22 ' A' ' 64' ' ' LEU . 6.2 t -101.54 146.71 27.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.793 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -69.04 -19.21 64.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -89.83 -51.66 5.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.412 HD22 ' CB ' ' A' ' 61' ' ' SER . 0.7 OUTLIER -48.2 -39.67 21.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.973 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.419 ' O ' ' CB ' ' A' ' 69' ' ' LEU . 8.1 tp60 -57.11 -61.81 2.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 47.2 mtp180 -59.31 -39.03 81.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp -54.88 -70.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.48 -37.93 87.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.131 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.536 HD23 HD21 ' A' ' 85' ' ' LEU . 19.9 tp -46.38 -43.45 16.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.609 HD22 ' HB3' ' A' ' 80' ' ' LEU . 81.9 mt -74.16 -44.88 51.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -40.8 -44.84 2.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.449 ' HB2' HG12 ' A' ' 56' ' ' VAL . 1.7 tp10 -69.67 -53.27 19.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 27.0 mt -46.13 -47.33 17.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -53.96 -40.89 67.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.946 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 23.4 mtt-85 -53.12 -29.82 33.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 66.2 m95 -91.62 -72.45 0.59 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.603 ' HB1' HG21 ' A' ' 115' ' ' VAL . . . -75.27 -70.87 0.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.068 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 147.55 -98.77 0.19 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.488 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.65 109.46 2.3 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.686 2.258 . . . . 0.0 112.373 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.609 ' HB3' HD22 ' A' ' 70' ' ' LEU . 4.4 mm? -120.99 121.88 28.59 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.608 0.718 . . . . 0.0 110.934 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.769 ' HG2' HD21 ' A' ' 107' ' ' LEU . 53.4 Cg_endo -69.75 170.44 16.56 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.738 2.292 . . . . 0.0 112.339 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -115.62 -40.66 3.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.126 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 73.1 p -71.49 -33.22 69.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.122 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 21.1 m170 -65.85 -29.95 70.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.536 HD21 HD23 ' A' ' 69' ' ' LEU . 18.4 tp -65.15 152.71 42.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -171.24 146.23 2.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.923 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.43 ' NE2' ' O ' ' A' ' 89' ' ' GLY . 15.7 t-80 -86.8 119.95 27.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.463 HD12 ' HD1' ' A' ' 146' ' ' TYR . 23.0 mt -118.31 90.21 3.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.927 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.43 ' O ' ' NE2' ' A' ' 87' ' ' HIS . . . 66.0 -164.57 39.62 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.482 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -152.34 170.81 19.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.899 0.38 . . . . 0.0 110.909 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.463 ' CG1' ' HE3' ' A' ' 141' ' ' LYS . 71.0 t -142.89 108.05 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.13 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.623 HG13 ' O ' ' A' ' 100' ' ' LEU . 55.8 t -118.63 112.05 36.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.507 ' CD2' ' CE1' ' A' ' 95' ' ' PHE . 20.8 t60 -105.1 145.62 30.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 63.5 m -113.46 112.53 23.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.507 ' CE1' ' CD2' ' A' ' 93' ' ' HIS . 44.0 m-85 -99.89 -175.96 3.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.495 ' O ' ' CG ' ' A' ' 97' ' ' HIS . 4.2 m -46.49 107.22 0.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.495 ' CG ' ' O ' ' A' ' 96' ' ' SER . 24.0 p-80 45.1 31.73 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 61.3 mt -137.45 150.26 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.1 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 43.8 tttt -136.58 117.94 14.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.623 ' O ' HG13 ' A' ' 92' ' ' VAL . 3.4 mm? -104.14 154.62 19.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.485 ' HA ' HG22 ' A' ' 92' ' ' VAL . 17.7 m -133.05 101.24 5.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -107.98 120.19 41.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -89.14 120.08 30.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.449 HG22 HG13 ' A' ' 142' ' ' VAL . 73.1 t -75.86 125.82 35.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.09 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -132.94 140.42 47.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -111.62 142.99 17.24 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.5 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.769 HD21 ' HG2' ' A' ' 81' ' ' PRO . 1.2 tm? -157.01 113.95 3.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.833 0.349 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.599 ' N ' HD13 ' A' ' 107' ' ' LEU . . . -134.44 146.76 50.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 86.9 mt -87.66 108.56 19.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 179.851 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.791 0.246 . . . . 0.0 112.378 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.603 HG21 ' HB1' ' A' ' 77' ' ' ALA . 6.6 p -113.47 -37.92 2.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.979 0.418 . . . . 0.0 111.129 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 115' ' ' VAL . 16.5 p 37.38 34.77 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.149 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 57.4 m -145.64 119.13 9.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.122 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.484 ' O ' HG13 ' A' ' 118' ' ' VAL . 4.3 p -159.99 124.97 2.18 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.656 0.741 . . . . 0.0 111.095 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 169.69 18.38 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.675 2.25 . . . . 0.0 112.38 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 0.37 5.67 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.624 2.216 . . . . 0.0 112.414 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -105.05 2.65 40.88 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.464 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.423 ' HB1' HD11 ' A' ' 37' ' ' LEU . . . -132.49 159.95 37.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 0.0 111.089 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.552 ' HD2' ' CZ3' ' A' ' 51' ' ' TRP . 8.8 ptm180 -143.12 137.9 29.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' TRP . . . . . 0.451 ' CZ3' ' HG2' ' A' ' 28' ' ' GLN . 42.9 m95 -97.03 101.17 12.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.661 HD21 HD22 ' A' ' 38' ' ' LEU . 1.7 pp -116.67 167.29 11.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.91 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 6.8 p -83.61 175.2 9.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.093 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -61.99 -44.85 95.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -65.28 -42.15 93.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.02 -35.92 74.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.673 ' CE1' ' CZ ' ' A' ' 53' ' ' PHE . 34.0 t80 -60.63 -50.58 72.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.876 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -52.37 -51.11 60.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.796 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 64.5 p -68.23 -29.05 67.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.167 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -57.48 -178.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -100.01 94.27 6.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.074 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.794 HG12 ' HB2' ' A' ' 139' ' ' MET . 1.0 OUTLIER -124.95 145.51 32.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.1 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 137' ' ' THR . 13.4 m -71.65 144.11 49.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.837 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 136' ' ' SER . 87.1 m -33.9 -65.08 0.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.044 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.429 ' HA ' ' CE ' ' A' ' 141' ' ' LYS . . . -42.04 -68.01 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.075 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' MET . . . . . 0.794 ' HB2' HG12 ' A' ' 135' ' ' VAL . 48.7 mmm -39.82 -55.21 2.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -50.25 -37.86 37.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.463 ' HE3' ' CG1' ' A' ' 91' ' ' VAL . 41.9 mtmt -65.62 -33.84 76.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.95 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.453 HG21 HG21 ' A' ' 23' ' ' THR . 54.1 t -62.2 -22.86 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -80.09 -61.54 1.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.961 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -48.42 -35.66 13.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.947 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.421 HG12 HG11 ' A' ' 104' ' ' VAL . 38.4 t -71.23 -32.42 47.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.14 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . 0.463 ' HD1' HD12 ' A' ' 88' ' ' LEU . 1.6 t80 -66.2 -45.74 79.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.935 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.163 0 CA-C-O 120.73 0.221 . . . . 0.0 112.281 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 16' ' ' PRO . 36.5 mtp180 -35.06 -47.75 0.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -100.89 100.22 10.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.925 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -138.41 113.49 9.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.831 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.43 ' C ' ' HB2' ' A' ' 58' ' ' TRP . 25.2 m -117.13 139.44 50.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.849 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.2 m -154.8 152.08 29.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -119.74 112.2 18.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.096 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.508 HG23 HG11 ' A' ' 142' ' ' VAL . 5.8 t -104.2 146.52 28.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.453 ' HB2' HD11 ' A' ' 69' ' ' LEU . 53.2 t -123.0 160.29 26.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 67.0 t -114.97 103.48 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.146 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.428 HD13 HD11 ' A' ' 80' ' ' LEU . 41.4 tp -89.26 122.01 32.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.817 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -124.32 152.9 42.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.451 ' HG2' HD12 ' A' ' 109' ' ' LEU . 24.0 mt-30 -149.81 145.67 19.33 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.554 0.692 . . . . 0.0 110.903 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 131.34 21.01 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.67 2.247 . . . . 0.0 112.292 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -125.27 -168.86 12.82 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.522 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.48 -47.87 79.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.835 0.35 . . . . 0.0 111.119 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.4 mt -69.07 -42.89 75.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.32 -55.76 0.18 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.518 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -157.47 169.13 25.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.779 0.323 . . . . 0.0 111.061 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -162.3 129.63 3.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.937 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.505 HD11 ' HB2' ' A' ' 130' ' ' PHE . 4.4 pt -96.54 174.24 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.3 tp -108.66 145.62 34.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.583 HD22 HD21 ' A' ' 125' ' ' LEU . 8.8 tp -143.12 127.32 17.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.538 HG12 ' HB2' ' A' ' 122' ' ' ALA . 18.2 m -104.61 159.49 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.093 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -102.56 155.76 18.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.6 mtp85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 121.566 0.698 . . . . 0.0 110.871 -179.91 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.847 0.356 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.525 ' HB3' HD23 ' A' ' 38' ' ' LEU . 84.9 m95 -103.32 125.94 50.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.439 ' N ' ' CD ' ' A' ' 52' ' ' GLU . 1.1 pm0 -152.15 165.48 34.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.924 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.778 ' CZ ' ' CE1' ' A' ' 130' ' ' PHE . 12.8 m-85 -64.88 146.79 98.66 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.71 0.767 . . . . 0.0 110.843 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 143.22 50.14 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.692 2.262 . . . . 0.0 112.403 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.6 p -145.37 174.28 11.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.4 HG12 ' CB ' ' A' ' 72' ' ' GLU . 5.3 m -133.54 -176.32 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.4 p -70.94 125.41 26.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.185 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.43 ' HB2' ' C ' ' A' ' 20' ' ' SER . 79.8 t90 -44.09 158.71 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -138.86 134.43 17.04 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.644 0.735 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.89 -20.53 34.08 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.742 2.295 . . . . 0.0 112.34 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.3 t -97.1 161.37 13.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -79.48 -28.54 41.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 27.8 tp60 -85.55 -60.65 1.97 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.3 mp -37.51 -41.84 0.48 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -54.94 -51.37 66.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.96 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 38.4 mtt180 -68.72 -46.26 69.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.7 mtmt -50.05 -62.66 1.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.46 -43.31 94.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.137 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.453 HD11 ' HB2' ' A' ' 24' ' ' CYS . 9.6 tp -42.83 -48.24 5.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.973 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.579 HD23 HD12 ' A' ' 73' ' ' LEU . 86.7 mt -72.22 -46.87 54.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 70' ' ' LEU . 23.0 mt-30 -36.99 -35.97 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.4 ' CB ' HG12 ' A' ' 56' ' ' VAL . 3.7 tp10 -81.97 -53.8 5.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.579 HD12 HD23 ' A' ' 70' ' ' LEU . 22.4 mt -41.97 -48.94 4.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -53.32 -39.23 63.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -55.53 -29.51 59.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.799 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.601 ' CE3' ' HB2' ' A' ' 122' ' ' ALA . 77.4 m95 -89.93 -70.34 0.67 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.756 ' HB1' HG21 ' A' ' 115' ' ' VAL . . . -79.12 -72.26 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.081 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 149.81 -100.48 0.21 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 108.37 2.08 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.712 2.275 . . . . 0.0 112.307 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.428 HD11 HD13 ' A' ' 26' ' ' LEU . 4.4 mm? -120.56 135.27 24.49 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.544 0.688 . . . . 0.0 110.959 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.865 ' HG2' HD21 ' A' ' 107' ' ' LEU . 53.4 Cg_endo -69.84 -175.66 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.633 2.222 . . . . 0.0 112.347 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -128.22 -73.67 0.59 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.1 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -50.42 -38.06 41.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.166 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -51.22 -44.71 61.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.529 ' CA ' HD23 ' A' ' 107' ' ' LEU . 16.8 tp -55.41 154.93 5.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.965 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.465 ' N ' ' HG ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -170.85 155.13 4.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.885 179.899 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -87.85 123.72 32.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.426 HD21 ' HD3' ' A' ' 86' ' ' ARG . 3.9 mt -128.36 93.07 3.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 65.77 -175.88 16.59 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.461 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.86 171.09 15.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.946 0.403 . . . . 0.0 110.846 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 38.3 t -140.72 109.06 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.48 ' CG1' ' HD3' ' A' ' 99' ' ' LYS . 53.5 t -120.23 114.25 43.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 39.0 t60 -102.76 145.35 29.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -110.76 105.0 13.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -79.75 -179.02 6.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 46.8 t -45.41 -63.72 0.89 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.528 ' CD2' HG13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -130.32 24.09 5.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.864 179.908 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.528 HG13 ' CD2' ' A' ' 97' ' ' HIS . 35.9 mt -136.37 143.75 34.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.48 ' HD3' ' CG1' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -120.59 108.28 13.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 179.854 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -91.24 149.69 21.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.985 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 57.0 m -132.49 105.58 7.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.132 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -109.74 128.88 55.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.954 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 -95.49 119.66 34.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.718 HG22 HG13 ' A' ' 142' ' ' VAL . 57.4 t -74.01 127.42 35.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -136.99 127.32 26.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -106.58 137.17 13.75 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.378 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.865 HD21 ' HG2' ' A' ' 81' ' ' PRO . 1.7 tm? -155.59 108.72 2.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.79 0.328 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.465 ' N ' HD13 ' A' ' 107' ' ' LEU . . . -127.96 147.6 50.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.101 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.451 HD12 ' HG2' ' A' ' 28' ' ' GLN . 94.0 mt -88.59 108.41 19.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.918 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.465 -0.177 0 CA-C-O 120.863 0.276 . . . . 0.0 112.337 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.756 HG21 ' HB1' ' A' ' 77' ' ' ALA . 7.7 p -114.43 -40.95 3.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 115' ' ' VAL . 11.3 p 33.71 42.13 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.216 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 22.9 m -157.82 124.38 4.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.074 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.479 ' CG2' ' HB3' ' A' ' 122' ' ' ALA . 9.7 p -168.0 136.17 1.9 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.576 0.703 . . . . 0.0 111.161 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 118' ' ' VAL . 54.1 Cg_endo -69.72 167.42 24.43 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.66 2.24 . . . . 0.0 112.383 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 -0.8 7.41 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.731 2.288 . . . . 0.0 112.386 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -101.4 4.28 54.54 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.498 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.601 ' HB2' ' CE3' ' A' ' 76' ' ' TRP . . . -134.52 165.96 24.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.803 0.335 . . . . 0.0 111.11 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -149.31 149.24 30.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 33.0 m95 -107.22 105.23 15.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.94 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.583 HD21 HD22 ' A' ' 38' ' ' LEU . 1.6 pp -120.92 169.82 10.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.943 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 6.0 p -88.07 173.2 9.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.144 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -58.9 -45.81 89.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.977 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -64.59 -33.36 75.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -73.34 -32.99 64.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.778 ' CE1' ' CZ ' ' A' ' 53' ' ' PHE . 9.3 t80 -61.8 -46.0 91.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -61.11 -40.89 95.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 80.4 p -72.29 -24.59 61.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.203 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -66.3 169.7 6.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.018 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -87.91 97.56 11.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.738 HG12 ' HB2' ' A' ' 139' ' ' MET . 1.0 OUTLIER -127.61 144.96 35.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.103 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 137' ' ' THR . 77.4 p -78.43 143.74 36.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.802 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.534 HG22 ' HD2' ' A' ' 141' ' ' LYS . 4.0 m -34.99 -62.19 0.38 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.143 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 137' ' ' THR . . . -35.32 -57.89 0.58 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.129 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' MET . . . . . 0.738 ' HB2' HG12 ' A' ' 135' ' ' VAL . 22.9 mmm -65.09 -47.43 77.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -54.89 -18.86 5.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.534 ' HD2' HG22 ' A' ' 137' ' ' THR . 7.8 mtpm? -89.37 -23.02 22.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.718 HG13 HG22 ' A' ' 104' ' ' VAL . 63.7 t -76.93 -13.14 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.152 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.551 ' CE2' ' NE2' ' A' ' 147' ' ' GLN . 84.7 t80 -84.41 -51.11 7.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 28.7 ptt85 -62.7 -23.64 67.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.867 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.472 HG11 HG21 ' A' ' 104' ' ' VAL . 55.8 t -79.54 -21.24 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.088 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -83.97 -39.02 20.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . 0.551 ' NE2' ' CE2' ' A' ' 143' ' ' PHE . 56.4 mt-30 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.926 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 17' ' ' ARG . 54.2 Cg_endo . . . . . 0 N--CA 1.465 -0.151 0 CA-C-O 120.792 0.246 . . . . 0.0 112.341 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.439 ' CD ' ' O ' ' A' ' 97' ' ' HIS . 6.4 mmm180 -36.4 -68.99 0.12 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -76.74 100.2 5.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -146.19 113.49 6.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 75.7 m -127.37 147.07 50.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 72.3 m -154.89 162.25 41.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.525 ' CB ' ' CD ' ' A' ' 65' ' ' GLN . . . -124.43 113.1 17.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.04 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.543 ' CG2' HG11 ' A' ' 142' ' ' VAL . 15.1 t -104.47 152.98 21.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.091 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.743 ' HB2' HD21 ' A' ' 69' ' ' LEU . 1.1 t -133.92 145.45 49.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 78.7 t -100.5 113.8 37.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.169 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.2 tp -100.78 124.27 46.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.468 ' HB2' HG22 ' A' ' 36' ' ' ILE . 44.7 tt0 -130.19 155.62 45.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -144.44 147.65 37.45 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.546 0.689 . . . . 0.0 110.932 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 120.21 7.03 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.633 2.222 . . . . 0.0 112.355 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -111.24 150.9 17.88 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.467 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -38.45 -56.89 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.762 0.315 . . . . 0.0 111.091 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 32.1 mt -63.05 -48.19 79.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.62 -83.15 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.483 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -168.13 158.99 10.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.792 0.329 . . . . 0.0 111.119 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -152.9 156.67 39.38 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.468 HG22 ' HB2' ' A' ' 27' ' ' GLU . 7.5 pt -109.27 173.57 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.173 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.502 HD13 ' NE1' ' A' ' 124' ' ' TRP . 6.9 tp -106.49 148.66 27.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.96 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.598 HD12 ' CD1' ' A' ' 53' ' ' PHE . 9.1 tp -146.22 131.42 18.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.688 HG11 ' CE2' ' A' ' 76' ' ' TRP . 34.1 m -111.88 155.03 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.052 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.401 ' HB2' ' CE3' ' A' ' 51' ' ' TRP . 32.1 tt0 -107.96 125.4 51.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 121.602 0.715 . . . . 0.0 110.85 -179.926 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.2 mm? . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.833 0.349 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.512 ' HB3' HD23 ' A' ' 38' ' ' LEU . 87.4 m95 -76.25 142.52 41.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.904 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -170.96 160.88 6.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.598 ' CD1' HD12 ' A' ' 38' ' ' LEU . 14.8 m-85 -64.37 147.62 97.0 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.658 0.742 . . . . 0.0 110.891 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 142.55 48.39 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.713 2.276 . . . . 0.0 112.415 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 84.4 p -146.49 168.86 20.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.849 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.438 HG12 ' HB2' ' A' ' 72' ' ' GLU . 4.7 m -128.94 171.06 17.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.19 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.8 t -54.13 152.82 5.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 87.6 t90 -70.23 142.45 52.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -130.48 132.15 23.81 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.66 0.743 . . . . 0.0 110.947 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -25.34 28.53 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.66 2.24 . . . . 0.0 112.315 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.1 t -93.1 129.65 39.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.869 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -54.26 -26.99 32.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -83.32 -61.37 1.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.5 mp -41.56 -39.2 1.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.525 ' CD ' ' CB ' ' A' ' 22' ' ' ALA . 2.9 tp-100 -59.71 -57.31 13.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 70.4 mtm180 -60.03 -40.76 90.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.2 mtpt -51.17 -51.56 52.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 70' ' ' LEU . . . -73.62 -51.96 15.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.832 HD23 HD21 ' A' ' 85' ' ' LEU . 65.8 tp -34.28 -35.2 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 68' ' ' ALA . 91.8 mt -87.81 -45.3 10.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.964 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 68' ' ' ALA . 5.9 pt20 -46.33 -23.04 0.3 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.438 ' HB2' HG12 ' A' ' 56' ' ' VAL . 2.6 tp10 -92.5 -52.58 4.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.721 HD11 ' SG ' ' A' ' 24' ' ' CYS . 13.8 mt -45.81 -44.49 14.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.969 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -55.39 -38.7 69.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.943 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -51.46 -30.16 18.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.804 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.688 ' CE2' HG11 ' A' ' 39' ' ' VAL . 63.4 m95 -92.36 -71.47 0.64 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.976 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.516 ' HB1' HG21 ' A' ' 115' ' ' VAL . . . -75.15 -73.73 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.082 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 150.46 -100.9 0.21 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.514 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.661 ' O ' HD22 ' A' ' 80' ' ' LEU . 54.4 Cg_endo -69.74 114.17 3.61 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.702 2.268 . . . . 0.0 112.417 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.661 HD22 ' O ' ' A' ' 79' ' ' PRO . 4.4 mm? -128.96 136.19 28.8 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.61 0.719 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.931 ' HG2' HD21 ' A' ' 107' ' ' LEU . 54.0 Cg_endo -69.76 -179.91 3.24 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.776 2.317 . . . . 0.0 112.298 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -125.19 -56.37 1.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 41.4 p -64.12 -40.27 95.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.092 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -49.57 -39.31 34.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.832 HD21 HD23 ' A' ' 69' ' ' LEU . 11.1 tp -54.62 120.39 6.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.1 tpp85 -127.4 142.74 51.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 21.8 t-80 -81.78 124.28 29.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 38.2 mt -128.03 92.17 3.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.935 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 57.63 -175.43 1.88 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.462 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -141.06 170.59 15.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.944 0.402 . . . . 0.0 110.839 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.472 HG21 ' HA ' ' A' ' 142' ' ' VAL . 44.4 t -135.32 119.54 26.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.608 HG22 ' HA ' ' A' ' 101' ' ' THR . 44.8 t -134.19 107.19 9.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -99.24 123.52 43.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 24.5 m -92.41 109.6 20.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -83.64 -175.92 6.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 30.7 t -49.79 -72.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.439 ' O ' ' CD ' ' A' ' 17' ' ' ARG . 13.9 p-80 -118.82 29.03 7.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.855 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.433 HG13 ' C ' ' A' ' 97' ' ' HIS . 23.1 mt -142.53 149.6 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.087 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -132.06 121.45 23.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.511 ' O ' HG13 ' A' ' 92' ' ' VAL . 2.6 mm? -106.59 154.12 21.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.608 ' HA ' HG22 ' A' ' 92' ' ' VAL . 91.8 m -135.01 103.92 5.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.119 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -105.78 136.41 45.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -104.03 114.94 29.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.927 HG22 HG13 ' A' ' 142' ' ' VAL . 85.1 t -72.81 126.38 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -139.52 113.11 8.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -86.0 145.3 20.64 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.469 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.931 HD21 ' HG2' ' A' ' 81' ' ' PRO . 2.3 tm? -156.97 114.95 3.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.788 0.327 . . . . 0.0 110.993 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.478 ' N ' HD13 ' A' ' 107' ' ' LEU . . . -131.43 153.05 50.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.102 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 71.7 mt -95.75 108.3 20.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.466 -0.119 0 CA-C-O 120.803 0.251 . . . . 0.0 112.358 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.73 HG22 ' H ' ' A' ' 117' ' ' THR . 2.4 p -102.67 -40.15 6.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.16 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 17.1 p 38.87 26.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.73 ' H ' HG22 ' A' ' 115' ' ' VAL . 18.3 m -136.6 125.98 24.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.09 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.569 ' O ' HG13 ' A' ' 118' ' ' VAL . 4.5 p -165.71 119.51 0.91 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.617 0.723 . . . . 0.0 111.165 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 170.1 17.28 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.706 2.271 . . . . 0.0 112.365 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 3.07 2.98 Favored 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.76 2.307 . . . . 0.0 112.309 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -105.41 2.51 39.89 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.513 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.503 ' HB2' ' CE3' ' A' ' 76' ' ' TRP . . . -129.06 168.54 15.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.813 0.34 . . . . 0.0 111.063 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -151.46 134.9 16.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' TRP . . . . . 0.502 ' NE1' HD13 ' A' ' 37' ' ' LEU . 38.0 m95 -102.18 111.01 23.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.455 ' HB2' ' CB ' ' A' ' 129' ' ' GLU . 1.3 pp -125.58 169.26 12.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.88 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 7.3 p -85.55 175.19 8.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.093 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 16.7 mp0 -61.69 -41.56 97.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.966 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -74.84 -24.08 58.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.455 ' CB ' ' HB2' ' A' ' 125' ' ' LEU . 20.5 mt-10 -73.24 -39.53 65.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.598 ' CE2' HG21 ' A' ' 135' ' ' VAL . 3.8 t80 -62.97 -47.86 81.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . 0.419 ' CE1' ' CE2' ' A' ' 143' ' ' PHE . 11.1 m-70 -43.46 -62.14 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.812 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 36.3 p -61.75 -29.07 69.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.115 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 130' ' ' PHE . . . -56.75 152.65 11.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.098 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.73 99.9 6.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.615 HG12 ' HB2' ' A' ' 139' ' ' MET . 2.3 t -126.67 147.58 31.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.117 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 137' ' ' THR . 34.5 t -68.77 138.92 55.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.697 HG22 ' HD2' ' A' ' 141' ' ' LYS . 91.4 m -33.95 -65.86 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.136 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 137' ' ' THR . . . -36.75 -69.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' MET . . . . . 0.615 ' HB2' HG12 ' A' ' 135' ' ' VAL . 36.0 mmm -42.59 -59.4 1.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? -43.99 -38.59 3.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.927 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.697 ' HD2' HG22 ' A' ' 137' ' ' THR . 6.4 mtpm? -67.55 -34.0 76.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.888 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.927 HG13 HG22 ' A' ' 104' ' ' VAL . 90.2 t -64.53 -19.74 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.052 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.419 ' CE2' ' CE1' ' A' ' 131' ' ' HIS . 64.8 t80 -81.72 -55.58 4.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -55.6 -17.89 6.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.787 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 40.8 t -87.08 -36.45 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.143 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -68.42 -32.1 71.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.962 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.873 179.974 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.773 0.239 . . . . 0.0 112.305 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 16' ' ' PRO . 87.8 mtt180 -34.06 -59.5 0.42 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -95.18 100.23 12.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.899 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -140.58 113.54 8.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.838 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.427 ' HB2' ' CB ' ' A' ' 58' ' ' TRP . 7.1 m -120.31 140.04 51.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.897 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 73.8 m -156.93 155.38 31.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.889 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.544 ' CB ' ' CD ' ' A' ' 65' ' ' GLN . . . -116.83 118.0 31.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.063 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.1 t -109.3 150.2 28.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.064 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.423 ' HB2' HD21 ' A' ' 69' ' ' LEU . 42.3 t -135.19 144.67 47.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 93.4 t -95.16 121.92 46.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.161 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.1 tp -104.26 114.5 28.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -120.96 157.29 30.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.567 ' HG2' HD12 ' A' ' 109' ' ' LEU . 38.9 mt-30 -145.92 129.12 8.25 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.639 0.733 . . . . 0.0 110.944 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 116.88 4.77 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.653 2.235 . . . . 0.0 112.351 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 31' ' ' ALA . . . -129.78 164.2 22.6 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.505 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 30' ' ' GLY . . . -36.52 -63.79 0.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.366 . . . . 0.0 111.099 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.1 mt -43.33 -42.33 4.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 153.3 -67.94 0.31 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.526 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.72 146.37 13.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.797 0.332 . . . . 0.0 111.09 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.556 ' HG3' HG22 ' A' ' 126' ' ' THR . 19.0 tt0 -149.68 131.51 15.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.937 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.6 pt -101.57 175.6 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.469 HD13 ' NE1' ' A' ' 124' ' ' TRP . 13.1 tp -106.69 149.04 27.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.556 HD22 HD21 ' A' ' 125' ' ' LEU . 10.6 tp -145.54 124.27 12.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.579 HG11 ' CE2' ' A' ' 76' ' ' TRP . 35.5 m -103.65 150.12 7.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.535 ' HB2' ' CE3' ' A' ' 51' ' ' TRP . 40.4 tt0 -98.95 160.31 14.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.401 ' N ' ' HG2' ' A' ' 40' ' ' GLN . 14.0 mtt-85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 121.611 0.72 . . . . 0.0 110.841 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.2 mm? . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.835 0.35 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.535 ' CE3' ' HB2' ' A' ' 40' ' ' GLN . 77.1 m95 -90.11 141.02 29.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.973 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -165.8 152.25 9.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.854 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.435 ' CE1' HD13 ' A' ' 38' ' ' LEU . 21.7 m-85 -54.53 146.71 32.75 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.677 0.751 . . . . 0.0 110.857 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.414 ' HG2' HD21 ' A' ' 73' ' ' LEU . 54.2 Cg_endo -69.72 141.77 46.29 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.683 2.255 . . . . 0.0 112.413 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.8 p -146.57 158.03 43.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.85 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.576 HG12 ' HB2' ' A' ' 72' ' ' GLU . 16.9 m -119.18 179.73 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.196 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.2 t -62.6 150.62 40.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.161 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.427 ' CB ' ' HB2' ' A' ' 20' ' ' SER . 89.9 t90 -67.96 147.9 51.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -133.31 133.36 22.77 Favored Pre-proline 0 C--N 1.331 -0.218 0 CA-C-O 121.665 0.745 . . . . 0.0 110.828 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -24.27 29.64 Favored 'Trans proline' 0 N--CA 1.465 -0.198 0 C-N-CA 122.748 2.299 . . . . 0.0 112.316 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.2 t -100.04 128.49 46.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.873 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.74 -38.31 15.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 64' ' ' LEU . 31.0 tt0 -71.03 -66.35 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.961 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 63' ' ' GLN . 5.5 mp -36.04 -41.9 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.544 ' CD ' ' CB ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -58.59 -52.32 66.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.903 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 41.6 mtt180 -65.27 -46.68 79.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.9 mtpt -47.37 -56.63 6.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' A' ' 70' ' ' LEU . . . -72.85 -52.06 16.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.055 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.681 HD23 HD21 ' A' ' 85' ' ' LEU . 17.5 tp -34.59 -32.39 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.541 HD22 ' HB3' ' A' ' 80' ' ' LEU . 90.0 mt -86.97 -42.89 12.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.953 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 68' ' ' ALA . 5.5 pt20 -44.32 -30.6 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.576 ' HB2' HG12 ' A' ' 56' ' ' VAL . 4.1 tp10 -82.33 -55.62 4.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.414 HD21 ' HG2' ' A' ' 54' ' ' PRO . 18.1 mt -46.66 -47.06 20.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -53.02 -35.19 59.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -56.65 -33.62 66.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.579 ' CE2' HG11 ' A' ' 39' ' ' VAL . 67.1 m95 -86.72 -71.63 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.689 ' HB1' HG21 ' A' ' 115' ' ' VAL . . . -74.74 -71.44 0.35 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.125 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 146.93 -100.25 0.22 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.515 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 107.8 1.94 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.726 2.284 . . . . 0.0 112.337 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.541 ' HB3' HD22 ' A' ' 70' ' ' LEU . 4.3 mm? -118.6 139.84 27.55 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.589 0.709 . . . . 0.0 110.918 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.831 ' HG2' HD21 ' A' ' 107' ' ' LEU . 52.9 Cg_endo -69.75 -173.6 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.7 2.267 . . . . 0.0 112.352 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -134.64 -54.94 0.83 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.145 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 21.2 p -64.64 -55.59 19.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.151 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -39.51 -42.02 1.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.681 HD21 HD23 ' A' ' 69' ' ' LEU . 29.2 tp -53.28 127.94 26.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.953 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -141.72 156.93 45.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.408 ' HB2' ' CE1' ' A' ' 105' ' ' TYR . 18.7 t-80 -93.91 126.84 39.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.0 mt -127.99 93.78 3.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 60.69 -166.65 11.83 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.456 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.84 170.54 19.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.907 0.384 . . . . 0.0 110.895 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.425 HG23 ' CG2' ' A' ' 104' ' ' VAL . 71.7 t -140.96 105.19 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.483 HG22 ' HA ' ' A' ' 101' ' ' THR . 53.3 t -115.3 103.58 15.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.129 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -99.98 138.38 37.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 54.2 m -108.43 104.58 13.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.179 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -85.54 -175.4 5.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.548 ' O ' ' CG ' ' A' ' 97' ' ' HIS . 2.2 m -48.75 109.7 0.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.548 ' CG ' ' O ' ' A' ' 96' ' ' SER . 21.6 p-80 46.44 31.75 1.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 38.8 mt -141.32 151.06 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -133.44 119.12 19.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.443 ' O ' HG13 ' A' ' 92' ' ' VAL . 2.7 mm? -107.71 142.81 37.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.483 ' HA ' HG22 ' A' ' 92' ' ' VAL . 63.8 m -124.37 103.92 8.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.175 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -106.38 130.93 54.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -95.46 113.11 24.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.464 HG22 HG13 ' A' ' 142' ' ' VAL . 75.5 t -71.12 123.59 25.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.133 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.408 ' CE1' ' HB2' ' A' ' 87' ' ' HIS . 34.5 m-85 -136.23 133.38 36.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.006 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -109.23 140.6 15.73 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.498 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.831 HD21 ' HG2' ' A' ' 81' ' ' PRO . 1.9 tm? -157.47 112.41 2.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.865 0.364 . . . . 0.0 110.904 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.446 ' N ' HD13 ' A' ' 107' ' ' LEU . . . -132.44 140.07 48.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.048 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.567 HD12 ' HG2' ' A' ' 28' ' ' GLN . 70.9 mt -80.67 102.75 10.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.949 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.466 -0.089 0 CA-C-O 120.888 0.286 . . . . 0.0 112.248 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.689 HG21 ' HB1' ' A' ' 77' ' ' ALA . 7.9 p -99.42 -45.79 12.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.501 ' N ' HG13 ' A' ' 115' ' ' VAL . 34.9 p 44.3 29.0 0.33 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.111 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 32.3 m -142.8 137.81 29.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.578 ' O ' HG13 ' A' ' 118' ' ' VAL . 4.2 p -174.3 119.2 0.35 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.567 0.698 . . . . 0.0 111.177 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 170.28 16.94 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.662 2.241 . . . . 0.0 112.316 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 3.36 2.84 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.618 2.212 . . . . 0.0 112.402 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -103.91 -2.79 45.88 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.556 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.43 ' HB3' HG22 ' A' ' 118' ' ' VAL . . . -124.4 170.55 10.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.73 0.3 . . . . 0.0 111.167 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.435 ' NH1' ' HB2' ' A' ' 123' ' ' ARG . 1.1 ptm85 -151.94 134.96 15.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.84 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' TRP . . . . . 0.469 ' NE1' HD13 ' A' ' 37' ' ' LEU . 21.4 m95 -102.73 106.91 17.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.934 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.556 HD21 HD22 ' A' ' 38' ' ' LEU . 2.3 pp -125.38 169.85 11.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.938 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . 0.556 HG22 ' HG3' ' A' ' 35' ' ' GLN . 7.7 p -90.7 160.91 15.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -46.73 -48.47 20.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -56.71 -47.99 78.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -59.76 -42.18 92.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.646 ' CE1' HG21 ' A' ' 135' ' ' VAL . 48.3 t80 -53.86 -50.24 66.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.84 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 33.5 m-70 -49.22 -51.04 35.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 71.9 p -70.56 -18.06 62.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 130' ' ' PHE . . . -69.95 147.54 50.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.129 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -71.76 96.75 1.66 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.646 HG21 ' CE1' ' A' ' 130' ' ' PHE . 1.9 t -130.31 145.78 35.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 13.7 p -69.47 151.57 45.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 18.5 m -46.23 -56.3 5.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -39.78 -62.12 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' MET . . . . . 0.599 ' HB2' HG12 ' A' ' 135' ' ' VAL . 28.2 mmm -59.59 -50.42 73.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . 0.419 ' CG ' ' HB ' ' A' ' 135' ' ' VAL . 12.1 mtpt -53.2 -21.22 4.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.446 ' O ' HG23 ' A' ' 145' ' ' VAL . 31.0 mttp -86.19 -27.72 24.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.464 HG13 HG22 ' A' ' 104' ' ' VAL . 84.4 t -66.2 -20.8 27.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.114 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.423 ' CE2' ' NE2' ' A' ' 147' ' ' GLN . 68.0 t80 -77.02 -59.14 2.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -51.68 -31.07 24.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.83 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 141' ' ' LYS . 95.6 t -77.25 -30.76 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.093 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -72.99 -34.55 66.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . 0.423 ' NE2' ' CE2' ' A' ' 143' ' ' PHE . 27.7 mt-30 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.838 0.266 . . . . 0.0 112.348 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 16' ' ' PRO . 39.7 mtt180 -37.9 -63.77 0.45 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -79.08 100.29 7.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.798 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -146.62 113.44 6.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.94 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.404 ' C ' ' HB2' ' A' ' 58' ' ' TRP . 48.3 m -123.3 142.91 50.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.3 m -150.3 157.31 42.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.804 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.408 ' HB3' ' NE2' ' A' ' 65' ' ' GLN . . . -123.37 107.38 11.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.096 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.553 HG23 HG11 ' A' ' 142' ' ' VAL . 9.5 t -104.4 147.52 27.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.147 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 43.1 t -130.94 153.26 49.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 98.0 t -101.31 125.72 55.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.107 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.712 HD13 HD11 ' A' ' 80' ' ' LEU . 47.2 tp -107.46 106.64 17.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.44 ' OE2' ' C ' ' A' ' 35' ' ' GLN . 3.1 tp10 -118.09 143.64 46.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.531 ' HG2' ' CZ3' ' A' ' 124' ' ' TRP . 1.3 pt20 -149.56 141.04 14.65 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.571 0.7 . . . . 0.0 110.915 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 132.32 22.95 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.62 2.214 . . . . 0.0 112.298 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -107.69 -138.42 8.69 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.464 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.85 -51.59 6.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.848 0.356 . . . . 0.0 111.119 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.1 mt -79.24 -40.56 30.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -164.67 -93.2 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.493 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -156.22 159.47 38.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.725 0.298 . . . . 0.0 111.131 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.44 ' C ' ' OE2' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -150.38 146.36 26.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.401 ' CG2' ' HB2' ' A' ' 27' ' ' GLU . 3.4 pt -98.47 176.78 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.569 HD13 ' NE1' ' A' ' 124' ' ' TRP . 11.8 tp -109.47 147.61 32.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' A' ' 38' ' ' LEU . 9.9 tp -142.57 122.32 13.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 31.3 m -106.48 158.89 6.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.095 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -124.34 122.4 37.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.424 ' NH1' ' HG3' ' A' ' 52' ' ' GLU . 9.1 mpt_? . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.654 0.74 . . . . 0.0 110.864 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.874 0.368 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.471 ' CZ3' ' HG2' ' A' ' 123' ' ' ARG . 86.1 m95 -71.95 133.95 45.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.904 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.424 ' HG3' ' NH1' ' A' ' 41' ' ' ARG . 3.6 pt-20 -170.3 165.69 8.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.689 ' CZ ' ' CE1' ' A' ' 130' ' ' PHE . 19.6 m-85 -70.12 148.19 95.87 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.618 0.723 . . . . 0.0 110.816 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 142.59 48.21 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.633 2.222 . . . . 0.0 112.338 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.1 p -144.23 159.17 43.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.408 HG12 ' HB2' ' A' ' 72' ' ' GLU . 8.9 m -124.51 176.55 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 21.3 p -61.43 144.03 54.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.163 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.404 ' HB2' ' C ' ' A' ' 20' ' ' SER . 86.7 t90 -63.54 141.81 58.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.914 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -124.11 135.04 25.91 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.588 0.708 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -28.57 25.22 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.628 2.219 . . . . 0.0 112.369 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.528 ' HB2' HD22 ' A' ' 64' ' ' LEU . 3.1 t -92.51 151.65 20.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -70.49 -30.07 66.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 47.0 tp60 -81.7 -61.28 1.97 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.528 HD22 ' HB2' ' A' ' 61' ' ' SER . 1.0 OUTLIER -39.19 -41.99 0.92 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.957 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.408 ' NE2' ' HB3' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -55.24 -52.01 64.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.889 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.3 mtp180 -68.06 -49.19 62.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -45.69 -57.6 4.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.924 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.75 -49.32 47.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.1 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 31.6 tp -40.77 -45.25 2.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.58 HD22 ' HB3' ' A' ' 80' ' ' LEU . 86.1 mt -69.76 -51.11 36.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.843 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.406 ' HA ' ' NE2' ' A' ' 74' ' ' GLN . 20.3 mm-40 -36.94 -42.02 0.37 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.408 ' HB2' HG12 ' A' ' 56' ' ' VAL . 3.2 tp10 -69.06 -55.91 9.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 37.4 mt -45.55 -47.39 14.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.406 ' NE2' ' HA ' ' A' ' 71' ' ' GLN . 37.9 mt-30 -52.8 -43.41 65.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 64.9 mtp180 -51.36 -34.11 32.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 82.2 m95 -87.08 -70.91 0.58 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.56 ' HB1' HG21 ' A' ' 115' ' ' VAL . . . -77.98 -71.67 0.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 147.18 -99.04 0.2 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.559 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 108.25 2.03 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.67 2.247 . . . . 0.0 112.338 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.712 HD11 HD13 ' A' ' 26' ' ' LEU . 4.3 mm? -120.66 133.24 24.03 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.599 0.714 . . . . 0.0 110.932 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.812 ' HG2' HD21 ' A' ' 107' ' ' LEU . 53.1 Cg_endo -69.8 174.6 9.3 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.668 2.245 . . . . 0.0 112.369 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -118.57 -52.63 2.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.094 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 85.3 m -66.2 -49.79 66.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.166 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -41.56 -43.74 2.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.824 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.503 ' CA ' HD23 ' A' ' 107' ' ' LEU . 37.3 tp -52.08 134.42 32.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 56.7 mtt180 -154.97 136.91 14.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.477 ' O ' HD23 ' A' ' 88' ' ' LEU . 16.6 t-80 -75.31 124.09 26.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.817 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.477 HD23 ' O ' ' A' ' 87' ' ' HIS . 40.8 mt -128.42 91.85 3.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 74.74 -172.78 52.62 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.51 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -150.12 170.93 17.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.845 0.355 . . . . 0.0 110.902 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.501 HG23 ' CG2' ' A' ' 104' ' ' VAL . 75.2 t -139.14 106.15 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.178 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 73.2 t -120.7 102.61 12.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.134 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 58.2 t60 -98.18 108.54 21.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.853 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 38.3 m -81.52 108.05 14.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.151 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -82.68 178.23 8.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.861 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 12.8 t -48.96 -69.46 0.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.528 ' CD2' HG13 ' A' ' 98' ' ' ILE . 0.4 OUTLIER -118.0 29.69 7.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.528 HG13 ' CD2' ' A' ' 97' ' ' HIS . 63.9 mt -146.8 144.58 20.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.409 ' C ' ' HD2' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -127.83 116.52 20.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.877 179.825 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -103.51 146.16 28.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 94.1 m -132.48 97.66 4.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.085 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -98.83 144.77 27.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -106.46 115.35 30.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.95 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.627 HG22 HG13 ' A' ' 142' ' ' VAL . 84.2 t -74.69 124.39 32.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.2 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.47 ' CE1' ' HB2' ' A' ' 87' ' ' HIS . 42.4 m-85 -131.89 134.92 46.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.963 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -109.72 131.79 10.68 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.466 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.812 HD21 ' HG2' ' A' ' 81' ' ' PRO . 1.4 tm? -147.6 119.96 8.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.814 0.34 . . . . 0.0 110.956 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.615 ' N ' HD13 ' A' ' 107' ' ' LEU . . . -137.97 150.91 47.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 57.6 mt -93.52 103.05 15.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.935 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.159 0 CA-C-O 120.814 0.256 . . . . 0.0 112.36 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.56 HG21 ' HB1' ' A' ' 77' ' ' ALA . 7.7 p -96.86 -42.49 11.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.421 ' N ' HG13 ' A' ' 115' ' ' VAL . 30.6 p 43.52 31.34 0.42 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.138 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 24.4 m -143.71 129.96 19.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.571 ' CG2' ' HB3' ' A' ' 122' ' ' ALA . 8.1 p -171.93 127.7 0.6 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.681 0.753 . . . . 0.0 111.075 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 169.75 18.2 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.754 2.303 . . . . 0.0 112.306 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 2.65 3.35 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.67 2.246 . . . . 0.0 112.311 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -109.01 15.08 33.83 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.512 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.571 ' HB3' ' CG2' ' A' ' 118' ' ' VAL . . . -138.73 169.94 16.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.737 0.303 . . . . 0.0 111.117 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.493 ' NE ' HD23 ' A' ' 125' ' ' LEU . 10.9 ptm180 -151.98 141.53 21.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' TRP . . . . . 0.569 ' NE1' HD13 ' A' ' 37' ' ' LEU . 29.3 m95 -107.91 109.74 21.33 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.493 HD23 ' NE ' ' A' ' 123' ' ' ARG . 0.9 OUTLIER -124.83 169.81 11.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 18.5 p -80.39 170.74 15.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -53.74 -54.69 34.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -57.51 -53.53 57.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -42.08 -46.33 4.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.689 ' CE1' ' CZ ' ' A' ' 53' ' ' PHE . 15.6 t80 -53.23 -53.76 45.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.849 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -43.2 -57.29 3.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 23.4 p -62.14 -50.92 69.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.138 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -36.48 153.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.104 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -71.9 99.21 2.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.083 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.59 HG12 ' HB2' ' A' ' 139' ' ' MET . 3.4 t -130.03 138.76 53.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.159 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 48.4 p -66.76 156.25 35.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.689 HG22 ' HD2' ' A' ' 141' ' ' LYS . 24.9 m -48.0 -57.48 5.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.08 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -43.0 -70.3 0.11 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.082 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' MET . . . . . 0.59 ' HB2' HG12 ' A' ' 135' ' ' VAL . 32.0 mmm -49.8 -48.51 50.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . 0.453 ' CG ' ' HB ' ' A' ' 135' ' ' VAL . 57.4 mttt -52.26 -31.95 34.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.689 ' HD2' HG22 ' A' ' 137' ' ' THR . 33.7 mtpt -74.09 -43.17 58.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.948 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.627 HG13 HG22 ' A' ' 104' ' ' VAL . 60.4 t -50.73 -27.64 5.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -73.19 -70.75 0.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -43.27 -33.74 1.03 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 141' ' ' LYS . 72.0 t -70.22 -39.38 76.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.068 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -72.69 -42.01 64.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.961 -179.974 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.156 0 CA-C-O 120.868 0.278 . . . . 0.0 112.33 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -38.73 -65.35 0.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -85.85 100.33 11.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -143.51 113.46 7.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.0 m -121.91 144.78 48.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.5 m -148.98 158.22 44.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.411 ' HB2' ' CD ' ' A' ' 65' ' ' GLN . . . -113.25 113.02 24.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.071 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.519 HG21 HG21 ' A' ' 142' ' ' VAL . 2.3 t -108.99 146.29 34.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.17 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.543 ' HB2' HD21 ' A' ' 69' ' ' LEU . 1.6 t -131.99 156.77 45.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.429 ' N ' ' SG ' ' A' ' 24' ' ' CYS . 47.1 t -107.89 99.65 9.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.141 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.1 tp -86.4 110.26 19.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.483 ' HB2' HG22 ' A' ' 36' ' ' ILE . 22.9 tt0 -122.55 151.37 41.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.459 ' NE2' ' HA ' ' A' ' 114' ' ' PRO . 9.6 tt0 -140.28 138.24 18.88 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.601 0.715 . . . . 0.0 110.945 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 125.42 12.12 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.728 2.285 . . . . 0.0 112.339 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -113.6 -97.85 2.28 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.447 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -127.95 -73.2 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.837 0.351 . . . . 0.0 111.117 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.5 mt -57.24 -39.71 76.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.923 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -167.39 -80.91 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.511 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -166.92 166.37 15.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.749 0.309 . . . . 0.0 111.094 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.413 ' CG ' HG22 ' A' ' 126' ' ' THR . 11.1 mt-30 -136.28 138.0 41.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.483 HG22 ' HB2' ' A' ' 27' ' ' GLU . 6.4 pt -103.83 172.8 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.5 tp -108.3 140.14 41.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.532 ' CD2' HD21 ' A' ' 125' ' ' LEU . 10.4 tp -137.34 125.6 23.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.645 HG11 ' CE2' ' A' ' 76' ' ' TRP . 34.9 m -111.38 131.76 61.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.42 ' HB2' ' CZ3' ' A' ' 51' ' ' TRP . 29.9 tt0 -71.21 160.05 33.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 121.563 0.697 . . . . 0.0 110.869 -179.947 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.5 mm? . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.794 0.33 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.482 ' O ' HG13 ' A' ' 135' ' ' VAL . 82.4 m95 -88.85 133.21 34.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.405 ' CB ' ' HG3' ' A' ' 139' ' ' MET . 5.6 pt-20 -160.7 157.7 27.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.614 ' CZ ' ' CE2' ' A' ' 130' ' ' PHE . 15.8 m-85 -56.25 146.31 52.62 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.636 0.731 . . . . 0.0 110.903 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 143.99 52.45 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.724 2.283 . . . . 0.0 112.304 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.2 p -145.68 160.85 41.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.9 m -124.37 175.97 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.143 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.7 p -58.88 135.5 57.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.47 ' CG ' ' N ' ' A' ' 59' ' ' GLU . 80.2 t90 -60.54 165.62 3.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.862 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.47 ' N ' ' CG ' ' A' ' 58' ' ' TRP . 5.9 mm-40 -148.69 139.69 13.75 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.715 0.769 . . . . 0.0 110.825 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -17.47 37.72 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.625 2.217 . . . . 0.0 112.37 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.4 t -103.94 155.47 18.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -78.54 -23.77 46.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -86.68 -48.58 8.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.3 mp -55.99 -34.2 65.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.411 ' CD ' ' HB2' ' A' ' 22' ' ' ALA . 8.4 tp60 -61.02 -54.56 43.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.464 ' HG2' HD23 ' A' ' 85' ' ' LEU . 57.1 mtp180 -63.33 -38.71 92.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.861 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.2 mtmt -49.87 -65.28 0.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.942 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.76 -37.24 86.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.603 HD23 HD21 ' A' ' 85' ' ' LEU . 22.5 tp -44.13 -60.93 1.66 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.63 HD22 ' HB3' ' A' ' 80' ' ' LEU . 86.0 mt -62.83 -48.4 79.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 70' ' ' LEU . 35.8 mm-40 -35.19 -38.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.941 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -79.51 -54.09 6.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.466 HD12 HD23 ' A' ' 70' ' ' LEU . 30.7 mt -42.68 -49.52 5.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -50.43 -44.73 55.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -51.8 -32.76 32.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.851 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.84 ' CE3' ' HB2' ' A' ' 122' ' ' ALA . 89.9 m95 -84.58 -71.35 0.52 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.437 ' CA ' HG21 ' A' ' 115' ' ' VAL . . . -80.51 -70.05 0.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.04 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 149.47 -99.79 0.2 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.542 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.469 ' O ' HD22 ' A' ' 80' ' ' LEU . 52.8 Cg_endo -69.8 111.42 2.81 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.701 2.267 . . . . 0.0 112.304 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.63 ' HB3' HD22 ' A' ' 70' ' ' LEU . 4.3 mm? -125.03 134.4 25.68 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.627 0.727 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.875 ' HG2' HD21 ' A' ' 107' ' ' LEU . 53.2 Cg_endo -69.84 -173.93 0.82 Allowed 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.609 2.206 . . . . 0.0 112.264 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -131.26 -69.25 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.115 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 51.5 m -55.76 -34.99 65.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.198 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -54.04 -37.26 63.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.603 HD21 HD23 ' A' ' 69' ' ' LEU . 10.4 tp -61.35 119.86 9.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.956 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.7 tpp180 -127.43 138.85 53.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -71.13 122.85 20.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 38.5 mt -127.56 93.27 3.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.945 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 58.92 -174.32 3.28 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.457 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -142.54 170.57 15.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.903 0.382 . . . . 0.0 110.836 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.468 HG23 ' CG2' ' A' ' 104' ' ' VAL . 54.4 t -139.19 104.99 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.131 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.469 HG22 HG23 ' A' ' 101' ' ' THR . 45.1 t -115.68 113.43 43.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.524 ' CD2' ' N ' ' A' ' 94' ' ' THR . 7.4 t60 -106.81 156.06 19.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.524 ' N ' ' CD2' ' A' ' 93' ' ' HIS . 24.7 m -125.63 123.15 38.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.167 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.524 ' CE1' ' CD2' ' A' ' 93' ' ' HIS . 39.4 m-85 -109.15 -178.33 3.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.54 ' O ' ' N ' ' A' ' 98' ' ' ILE . 65.3 m -53.39 127.57 25.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.824 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.582 ' O ' ' CG ' ' A' ' 97' ' ' HIS . 0.7 OUTLIER 34.42 30.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.81 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.552 HG22 ' N ' ' A' ' 99' ' ' LYS . 36.1 mt -145.38 159.89 12.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.552 ' N ' HG22 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -142.21 131.04 22.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.852 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.422 HD22 ' O ' ' A' ' 99' ' ' LYS . 2.8 mm? -119.47 149.76 41.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.971 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.469 HG23 HG22 ' A' ' 92' ' ' VAL . 18.3 m -138.36 115.09 10.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.171 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -114.05 138.82 49.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -101.75 115.97 31.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.468 ' CG2' HG23 ' A' ' 91' ' ' VAL . 60.1 t -70.6 127.15 32.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.074 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.504 ' HB3' HD11 ' A' ' 85' ' ' LEU . 13.4 m-85 -136.05 108.64 7.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.944 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -84.84 133.93 12.22 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.468 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.875 HD21 ' HG2' ' A' ' 81' ' ' PRO . 1.8 tm? -150.55 112.16 4.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.866 0.365 . . . . 0.0 110.894 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.47 ' N ' HD13 ' A' ' 107' ' ' LEU . . . -129.73 137.97 50.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.129 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 60.8 mt -73.85 114.98 12.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.966 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 179.98 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.459 ' HA ' ' NE2' ' A' ' 28' ' ' GLN . 53.3 Cg_endo . . . . . 0 N--CA 1.466 -0.142 0 CA-C-O 120.853 0.272 . . . . 0.0 112.34 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.455 ' O ' ' C ' ' A' ' 116' ' ' THR . 8.4 p -119.98 -40.42 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.142 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.455 ' C ' ' O ' ' A' ' 115' ' ' VAL . 20.7 p 33.76 42.9 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.076 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 24.7 m -162.06 119.89 2.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.876 ' CG2' ' HB3' ' A' ' 122' ' ' ALA . 11.1 p -142.93 137.19 14.76 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.568 0.699 . . . . 0.0 111.133 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.559 ' HD2' HG23 ' A' ' 118' ' ' VAL . 53.7 Cg_endo -69.78 166.53 27.3 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.688 2.259 . . . . 0.0 112.355 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 95.85 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.654 2.236 . . . . 0.0 112.329 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 145.51 -7.45 1.54 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.428 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.876 ' HB3' ' CG2' ' A' ' 118' ' ' VAL . . . -111.59 163.81 13.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.772 0.32 . . . . 0.0 111.126 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.612 ' HD3' HD23 ' A' ' 125' ' ' LEU . 11.9 ttm180 -146.2 138.84 25.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 29.1 m95 -107.22 101.12 10.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.807 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.612 HD23 ' HD3' ' A' ' 123' ' ' ARG . 2.4 pp -118.75 169.85 9.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . 0.413 HG22 ' CG ' ' A' ' 35' ' ' GLN . 6.7 p -84.69 166.57 16.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.196 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -51.49 -53.98 31.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.972 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -54.85 -50.45 68.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.817 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -47.63 -56.92 6.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.838 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.614 ' CE2' ' CZ ' ' A' ' 53' ' ' PHE . 10.2 t80 -38.89 -61.27 0.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.93 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . 0.421 ' C ' ' O ' ' A' ' 130' ' ' PHE . 3.1 m-70 -36.85 -62.09 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 63.1 p -57.19 -38.48 73.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.091 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 130' ' ' PHE . . . -49.52 157.12 0.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -76.8 98.57 4.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.041 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.806 HG12 ' HB2' ' A' ' 139' ' ' MET . 1.1 t -129.29 145.91 35.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 14.7 t -74.13 154.69 39.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 98.7 m -41.95 -66.73 0.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.147 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.413 ' O ' HG11 ' A' ' 91' ' ' VAL . . . -38.3 -62.57 0.57 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' MET . . . . . 0.806 ' HB2' HG12 ' A' ' 135' ' ' VAL . 45.4 mmm -50.45 -52.84 34.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 32.5 mttt -49.69 -28.08 5.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.76 ' O ' HG23 ' A' ' 145' ' ' VAL . 0.5 OUTLIER -80.56 -25.84 38.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.808 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.519 HG21 HG21 ' A' ' 23' ' ' THR . 20.6 t -65.6 -26.4 38.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.12 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.614 ' CE2' ' NE2' ' A' ' 147' ' ' GLN . 56.9 t80 -79.02 -61.07 2.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.423 ' HB3' ' NH1' ' A' ' 144' ' ' ARG . 0.6 OUTLIER -48.74 -37.03 17.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.915 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.76 HG23 ' O ' ' A' ' 141' ' ' LYS . 90.8 t -66.34 -37.49 79.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.076 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -73.61 -32.77 64.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.973 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . 0.614 ' NE2' ' CE2' ' A' ' 143' ' ' PHE . 8.3 mt-30 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.206 0 CA-C-O 120.814 0.256 . . . . 0.0 112.33 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 16' ' ' PRO . 12.9 mmm180 -34.41 -66.35 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -84.51 102.37 12.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -144.45 113.31 6.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.839 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.572 ' HB3' ' CD1' ' A' ' 58' ' ' TRP . 68.2 m -112.77 148.77 34.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.41 ' OG ' ' CE2' ' A' ' 102' ' ' TYR . 8.9 p -150.67 152.07 33.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.875 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.432 ' HB2' ' CD ' ' A' ' 65' ' ' GLN . . . -121.72 104.67 9.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.641 HG21 HG21 ' A' ' 142' ' ' VAL . 6.8 t -105.49 148.83 26.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.2 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.619 ' HB2' HD21 ' A' ' 69' ' ' LEU . 42.4 t -134.18 151.04 51.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.3 t -94.92 131.22 42.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.427 HD13 HD11 ' A' ' 80' ' ' LEU . 39.9 tp -115.52 111.0 20.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.492 ' HB2' HG22 ' A' ' 36' ' ' ILE . 30.6 tt0 -121.04 154.0 36.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.502 ' NE2' HD12 ' A' ' 109' ' ' LEU . 1.0 OUTLIER -141.56 124.43 9.58 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.625 0.726 . . . . 0.0 110.878 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 118.97 6.0 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.717 2.278 . . . . 0.0 112.331 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -112.26 -145.5 9.74 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.54 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.05 -54.06 5.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.912 0.387 . . . . 0.0 111.151 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.2 mt -60.59 -50.54 73.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.975 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.03 -79.75 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.488 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.92 150.32 15.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.702 0.287 . . . . 0.0 111.175 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.429 ' HG3' ' C ' ' A' ' 125' ' ' LEU . 5.6 tt0 -139.94 138.19 35.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.874 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.526 HG23 HE21 ' A' ' 127' ' ' GLN . 3.9 pt -104.05 174.99 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.494 HD11 ' HB1' ' A' ' 122' ' ' ALA . 13.0 tp -108.02 151.42 25.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.456 ' CD2' HD21 ' A' ' 125' ' ' LEU . 10.2 tp -144.36 120.75 10.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.423 HG11 ' CE2' ' A' ' 76' ' ' TRP . 33.9 m -105.4 146.7 12.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -121.39 121.42 37.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-O 121.631 0.729 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.782 0.325 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.57 ' CZ3' ' HB3' ' A' ' 123' ' ' ARG . 98.7 m95 -70.13 131.05 43.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.96 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -167.46 161.97 14.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.939 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.667 ' CZ ' ' CE2' ' A' ' 130' ' ' PHE . 14.1 m-85 -66.42 152.37 94.7 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.677 0.751 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.82 142.78 48.6 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.672 2.248 . . . . 0.0 112.267 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.4 p -140.62 159.86 41.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.804 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.442 HG11 ' HA ' ' A' ' 69' ' ' LEU . 12.4 m -128.24 178.96 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.119 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 37.8 p -65.76 140.6 58.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.572 ' CD1' ' HB3' ' A' ' 20' ' ' SER . 89.7 t90 -64.85 151.34 45.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.512 ' OE1' HD23 ' A' ' 64' ' ' LEU . 25.3 mm-40 -140.08 136.86 17.44 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.678 0.752 . . . . 0.0 110.85 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.47 ' HA ' ' CH2' ' A' ' 58' ' ' TRP . 53.0 Cg_endo -69.86 -18.55 36.49 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.647 2.231 . . . . 0.0 112.305 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.8 m -100.74 132.84 45.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.829 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.479 ' OE1' ' N ' ' A' ' 63' ' ' GLN . 0.0 OUTLIER -54.11 -37.38 64.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.479 ' N ' ' OE1' ' A' ' 62' ' ' GLU . 25.8 tt0 -74.34 -65.48 0.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.512 HD23 ' OE1' ' A' ' 59' ' ' GLU . 10.0 mp -34.38 -41.17 0.11 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.432 ' CD ' ' HB2' ' A' ' 22' ' ' ALA . 6.2 tp60 -59.73 -49.74 76.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.478 ' CZ ' ' HB2' ' A' ' 66' ' ' ARG . 19.0 mtm105 -69.34 -32.95 72.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.7 mtpp -58.04 -52.56 65.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.79 -40.92 39.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.078 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.638 HD23 HD21 ' A' ' 85' ' ' LEU . 26.0 tp -46.18 -47.71 17.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.923 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 71' ' ' GLN . 74.5 mt -67.18 -49.63 63.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 70' ' ' LEU . 81.2 mt-30 -37.43 -52.62 1.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.976 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 75' ' ' ARG . 13.9 tt0 -61.18 -59.99 4.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 26.7 mt -38.41 -54.93 1.43 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.954 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -49.82 -40.42 41.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 72' ' ' GLU . 12.0 mmm180 -53.96 -30.88 48.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.57 ' CE3' ' HB2' ' A' ' 122' ' ' ALA . 76.3 m95 -88.3 -71.32 0.59 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -77.26 -72.43 0.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.068 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 152.1 -102.36 0.22 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.469 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.84 110.3 2.54 Favored 'Trans proline' 0 C--O 1.233 0.242 0 C-N-CA 122.71 2.273 . . . . 0.0 112.34 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.427 HD11 HD13 ' A' ' 26' ' ' LEU . 4.4 mm? -121.48 135.55 25.17 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.528 0.68 . . . . 0.0 110.979 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.854 ' HG2' HD21 ' A' ' 107' ' ' LEU . 53.5 Cg_endo -69.77 -172.06 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.631 2.221 . . . . 0.0 112.322 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -132.93 -61.74 0.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 11.4 p -60.59 -26.65 67.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.11 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -66.4 -35.24 79.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.638 HD21 HD23 ' A' ' 69' ' ' LEU . 30.9 tp -63.42 147.8 50.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.945 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -166.36 147.48 6.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.448 ' O ' HD23 ' A' ' 88' ' ' LEU . 20.7 t-80 -81.19 123.84 28.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.448 HD23 ' O ' ' A' ' 87' ' ' HIS . 34.2 mt -126.69 95.38 4.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.956 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.64 -172.76 27.54 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -150.32 171.13 17.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.891 0.377 . . . . 0.0 110.859 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 51.1 t -141.22 105.04 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 53.8 t -115.56 111.12 34.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.072 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 37.3 t60 -104.48 129.52 52.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 20.8 m -98.42 112.33 24.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.157 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -83.19 -175.55 5.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 37.4 m -49.51 -65.43 0.57 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.853 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.4 ' H ' ' CD2' ' A' ' 97' ' ' HIS . 0.5 OUTLIER -125.96 28.98 5.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.846 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 35.4 mt -143.3 147.79 19.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.128 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 29.5 tttm -127.19 112.82 15.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.874 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -99.26 144.29 28.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.951 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 54.9 m -127.48 109.54 11.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.41 ' CE2' ' OG ' ' A' ' 21' ' ' SER . 51.1 m-85 -108.9 149.52 29.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -113.89 113.33 24.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 66.4 t -72.23 128.72 35.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.066 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -133.23 147.77 51.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -119.28 136.84 12.18 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.854 HD21 ' HG2' ' A' ' 81' ' ' PRO . 1.5 tm? -156.68 116.49 3.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 0.0 110.898 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.557 ' N ' HD13 ' A' ' 107' ' ' LEU . . . -137.89 136.71 37.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.152 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.502 HD12 ' NE2' ' A' ' 28' ' ' GLN . 40.0 mt -76.88 106.63 8.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.935 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 48.2 tp10 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 179.947 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.485 ' HA ' ' NE2' ' A' ' 28' ' ' GLN . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.171 0 CA-C-O 120.816 0.257 . . . . 0.0 112.332 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.447 HG13 ' N ' ' A' ' 116' ' ' THR . 11.3 p -98.58 -41.68 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.447 ' N ' HG13 ' A' ' 115' ' ' VAL . 44.8 p 35.46 35.71 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.405 ' N ' ' O ' ' A' ' 115' ' ' VAL . 89.2 m -160.67 123.51 3.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.148 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.696 ' CG2' ' HB3' ' A' ' 122' ' ' ALA . 7.5 p -145.85 138.14 13.57 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.638 0.732 . . . . 0.0 111.136 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.616 ' HD2' HG23 ' A' ' 118' ' ' VAL . 53.0 Cg_endo -69.79 169.25 19.39 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.623 2.215 . . . . 0.0 112.302 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 110.56 2.57 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.759 2.306 . . . . 0.0 112.315 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 132.9 -22.14 4.09 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.486 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.696 ' HB3' ' CG2' ' A' ' 118' ' ' VAL . . . -103.04 141.54 35.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.774 0.321 . . . . 0.0 111.055 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.57 ' HB3' ' CZ3' ' A' ' 51' ' ' TRP . 13.6 ttm180 -123.34 143.36 50.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 27.5 m95 -109.19 103.36 12.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.938 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.456 HD21 ' CD2' ' A' ' 38' ' ' LEU . 1.1 pp -125.13 169.89 11.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 17.9 p -82.67 171.9 13.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.526 HE21 HG23 ' A' ' 36' ' ' ILE . 13.2 mp0 -58.53 -46.55 86.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.938 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -62.6 -46.62 87.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -58.53 -28.98 65.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.865 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.667 ' CE2' ' CZ ' ' A' ' 53' ' ' PHE . 4.5 t80 -69.05 -45.5 70.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -50.44 -56.23 12.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 80.6 p -64.49 -43.58 93.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.181 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.595 ' O ' HG23 ' A' ' 135' ' ' VAL . . . -45.25 147.77 0.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.113 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.64 100.72 0.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.684 HG12 ' HB2' ' A' ' 139' ' ' MET . 3.1 t -130.85 143.17 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.117 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 17.5 m -67.99 154.06 42.42 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.606 HG22 ' HE3' ' A' ' 141' ' ' LYS . 32.7 m -47.69 -57.46 5.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -50.13 -63.03 1.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' MET . . . . . 0.684 ' HB2' HG12 ' A' ' 135' ' ' VAL . 35.7 mmm -48.4 -46.78 37.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -55.24 -30.02 59.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.606 ' HE3' HG22 ' A' ' 137' ' ' THR . 52.5 mttt -75.15 -36.07 61.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.91 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.641 HG21 HG21 ' A' ' 23' ' ' THR . 49.3 t -52.61 -25.29 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -79.69 -67.4 0.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.436 ' HB3' ' NH1' ' A' ' 144' ' ' ARG . 1.3 ptp180 -43.77 -36.85 2.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 71.4 t -67.19 -46.51 84.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -60.5 -45.02 95.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 179.966 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.198 0 CA-C-O 120.726 0.219 . . . . 0.0 112.375 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 16' ' ' PRO . 85.9 mtt180 -36.29 -57.04 0.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -101.61 100.41 10.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -141.9 113.49 7.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.3 m -118.38 136.13 53.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.784 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.8 m -149.21 151.25 33.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.864 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.412 ' CB ' ' OE1' ' A' ' 65' ' ' GLN . . . -115.57 106.92 14.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.168 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.8 t -100.37 149.27 23.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.487 ' HB2' HD21 ' A' ' 69' ' ' LEU . 10.0 t -132.64 146.32 51.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 68.9 t -100.86 117.9 46.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.632 HD12 ' N ' ' A' ' 27' ' ' GLU . 4.2 tp -102.49 124.2 47.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.632 ' N ' HD12 ' A' ' 26' ' ' LEU . 32.5 tt0 -131.46 146.08 52.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.489 HE22 HG12 ' A' ' 115' ' ' VAL . 11.3 tt0 -144.11 136.05 13.06 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.57 0.7 . . . . 0.0 110.945 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 125.19 11.84 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.714 2.276 . . . . 0.0 112.29 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -118.71 -139.67 6.15 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.508 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.27 -58.46 3.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.863 0.363 . . . . 0.0 111.132 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.8 mt -56.19 -50.9 69.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.974 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.4 -53.68 0.15 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -162.82 152.92 16.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.7 0.286 . . . . 0.0 111.105 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -149.23 140.12 22.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.473 HD12 ' HE1' ' A' ' 53' ' ' PHE . 3.7 pt -103.29 175.74 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.9 tp -110.41 134.27 52.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.937 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.5 ' CD2' HD21 ' A' ' 125' ' ' LEU . 9.7 tp -131.62 122.73 26.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.682 HG11 ' CE2' ' A' ' 76' ' ' TRP . 34.2 m -111.37 146.44 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.21 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -99.5 163.25 12.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.946 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.641 0.734 . . . . 0.0 110.894 -179.949 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.832 0.348 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 86.4 m95 -88.67 125.89 35.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -155.33 154.78 32.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.753 ' CZ ' ' CE1' ' A' ' 130' ' ' PHE . 16.2 m-85 -56.52 151.7 28.49 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.618 0.723 . . . . 0.0 110.928 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 142.68 48.94 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.717 2.278 . . . . 0.0 112.376 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.5 p -146.31 163.63 34.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.1 m -126.38 177.15 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.104 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.6 t -67.76 150.65 48.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.459 ' CG ' ' N ' ' A' ' 59' ' ' GLU . 75.4 t90 -58.92 168.02 1.41 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.897 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.459 ' N ' ' CG ' ' A' ' 58' ' ' TRP . 5.2 mm-40 -154.37 134.56 8.07 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.698 0.761 . . . . 0.0 110.803 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -22.41 32.18 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.667 2.244 . . . . 0.0 112.347 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.2 t -103.37 131.92 50.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -56.02 -28.2 56.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -80.24 -62.25 1.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.458 ' H ' HD13 ' A' ' 64' ' ' LEU . 1.9 mp -40.78 -37.3 0.74 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.431 ' NE2' ' HA ' ' A' ' 65' ' ' GLN . 2.3 tp-100 -60.47 -54.9 39.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.86 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 40.2 mtt180 -65.88 -39.35 90.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.817 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 32.1 mtpt -53.41 -54.86 30.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.411 ' HA ' ' NE2' ' A' ' 71' ' ' GLN . . . -74.92 -32.74 61.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.118 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.487 HD21 ' HB2' ' A' ' 24' ' ' CYS . 38.7 tp -53.68 -53.71 48.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 89.4 mt -63.42 -46.45 86.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.411 ' NE2' ' HA ' ' A' ' 68' ' ' ALA . 57.8 mt-30 -38.39 -40.73 0.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -70.86 -58.09 3.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.918 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 29.9 mt -41.58 -52.12 3.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -50.28 -38.15 39.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 60.4 mtt-85 -58.31 -29.91 66.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.682 ' CE2' HG11 ' A' ' 39' ' ' VAL . 75.9 m95 -88.85 -70.23 0.66 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.508 ' HA ' HG21 ' A' ' 115' ' ' VAL . . . -82.04 -72.76 0.42 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 155.82 -102.6 0.22 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.486 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.522 ' O ' HD22 ' A' ' 80' ' ' LEU . 54.2 Cg_endo -69.75 118.89 5.95 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.667 2.245 . . . . 0.0 112.393 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.522 HD22 ' O ' ' A' ' 79' ' ' PRO . 4.3 mm? -126.42 135.22 26.89 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.637 0.732 . . . . 0.0 110.863 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.726 ' HG2' HD21 ' A' ' 107' ' ' LEU . 52.9 Cg_endo -69.81 171.92 13.64 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.672 2.248 . . . . 0.0 112.337 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -117.45 -58.99 1.98 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.067 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 51.5 p -63.18 -31.45 72.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.151 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -57.34 -40.99 79.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.42 HD21 HD23 ' A' ' 69' ' ' LEU . 14.7 tp -56.64 137.94 53.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 -157.0 139.15 14.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.83 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.577 ' HB2' ' CE1' ' A' ' 105' ' ' TYR . 18.5 t-80 -75.86 120.03 20.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.508 ' O ' HG12 ' A' ' 145' ' ' VAL . 17.9 mt -123.66 93.96 4.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.25 -170.86 29.48 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.466 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.13 171.25 16.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.945 0.403 . . . . 0.0 110.838 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 13.8 t -139.94 105.05 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.095 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.1 t -115.51 103.82 15.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.718 ' CD2' ' CE1' ' A' ' 95' ' ' PHE . 12.3 t60 -99.2 126.69 45.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.4 p -93.98 113.25 25.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.718 ' CE1' ' CD2' ' A' ' 93' ' ' HIS . 57.3 m-85 -102.54 -178.33 3.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.487 ' O ' ' CG ' ' A' ' 97' ' ' HIS . 45.3 m -47.65 107.86 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.487 ' CG ' ' O ' ' A' ' 96' ' ' SER . 19.5 p-80 44.02 36.61 1.49 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.417 HG13 ' C ' ' A' ' 97' ' ' HIS . 23.9 mt -143.28 142.98 25.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.065 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 34.1 tttt -127.59 112.36 14.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -98.76 142.26 30.53 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 20.5 m -122.4 97.79 5.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.188 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -101.96 131.84 48.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.982 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 -99.67 113.42 25.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.561 HG13 HG13 ' A' ' 142' ' ' VAL . 59.0 t -73.69 125.21 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.161 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.577 ' CE1' ' HB2' ' A' ' 87' ' ' HIS . 27.9 m-85 -136.74 120.11 16.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.939 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -92.74 143.62 16.6 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.726 HD21 ' HG2' ' A' ' 81' ' ' PRO . 0.4 OUTLIER -154.82 114.62 3.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.769 0.319 . . . . 0.0 110.903 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.627 ' N ' HD13 ' A' ' 107' ' ' LEU . . . -127.43 146.6 50.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.169 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.416 HD21 ' HD3' ' A' ' 81' ' ' PRO . 71.7 mt -92.68 115.45 28.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 179.976 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.153 0 CA-C-O 120.878 0.283 . . . . 0.0 112.315 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.532 HG22 ' O ' ' A' ' 117' ' ' THR . 7.1 p -120.53 -44.89 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.179 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.465 ' N ' HG13 ' A' ' 115' ' ' VAL . 33.9 p 38.25 33.21 0.06 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.532 ' O ' HG22 ' A' ' 115' ' ' VAL . 4.3 t -165.33 148.82 8.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.639 ' CG2' ' HB3' ' A' ' 122' ' ' ALA . 6.4 p -157.26 137.5 8.91 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.644 0.735 . . . . 0.0 111.11 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.613 ' HD2' HG23 ' A' ' 118' ' ' VAL . 53.6 Cg_endo -69.74 169.17 19.5 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.662 2.241 . . . . 0.0 112.356 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.87 112.91 3.22 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.617 2.211 . . . . 0.0 112.362 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 128.23 -9.36 6.62 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.53 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.669 ' HB2' ' CE3' ' A' ' 76' ' ' TRP . . . -118.45 156.61 28.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.805 0.336 . . . . 0.0 111.116 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.45 ' NE ' HD23 ' A' ' 125' ' ' LEU . 11.7 ptm180 -140.99 144.87 35.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 28.9 m95 -109.95 111.44 22.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.5 HD21 ' CD2' ' A' ' 38' ' ' LEU . 1.9 pp -127.69 169.9 13.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.8 p -82.2 158.42 23.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -49.61 -35.35 20.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -70.73 -51.86 24.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -50.35 -46.46 55.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.753 ' CE1' ' CZ ' ' A' ' 53' ' ' PHE . 11.7 t80 -46.15 -60.5 2.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 130' ' ' PHE . 4.4 m-70 -37.99 -63.83 0.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 70.9 p -57.59 -42.8 83.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 130' ' ' PHE . . . -45.84 152.91 0.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.098 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -69.48 101.45 1.59 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.066 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.566 HG12 ' HB2' ' A' ' 139' ' ' MET . 5.0 t -131.62 147.35 32.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 41.5 t -71.95 146.05 48.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.591 HG22 ' HD2' ' A' ' 141' ' ' LYS . 96.3 m -39.32 -65.92 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.171 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -38.21 -72.0 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.081 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' MET . . . . . 0.566 ' HB2' HG12 ' A' ' 135' ' ' VAL . 42.1 mmm -41.1 -58.42 1.77 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.91 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . 0.408 ' CG ' ' HB ' ' A' ' 135' ' ' VAL . 3.4 mtpm? -44.35 -35.03 2.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.948 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.591 ' HD2' HG22 ' A' ' 137' ' ' THR . 6.7 mtpm? -72.85 -35.2 67.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.561 HG13 HG13 ' A' ' 104' ' ' VAL . 24.2 t -55.85 -19.72 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -76.6 -66.68 0.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 33.4 ptt85 -45.89 -28.82 1.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.508 HG12 ' O ' ' A' ' 88' ' ' LEU . 86.4 t -78.1 -36.76 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.136 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -72.54 -32.13 65.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.893 -179.977 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 17' ' ' ARG . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.139 0 CA-C-O 120.754 0.231 . . . . 0.0 112.321 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 16' ' ' PRO . 52.6 mtt180 -38.21 -62.63 0.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -83.06 100.23 10.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -146.68 113.48 6.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.481 ' HB2' ' CB ' ' A' ' 58' ' ' TRP . 25.5 m -117.98 146.87 43.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.7 m -151.81 153.05 33.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.836 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.499 ' CB ' ' CD ' ' A' ' 65' ' ' GLN . . . -117.42 108.23 15.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.122 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.538 HG21 HG21 ' A' ' 142' ' ' VAL . 9.0 t -104.91 146.26 29.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.442 ' HB2' HD11 ' A' ' 69' ' ' LEU . 31.2 t -127.03 161.92 27.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.828 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 95.4 t -115.12 111.08 34.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.101 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 38.6 tp -96.4 117.73 31.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.927 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.405 ' HG2' ' N ' ' A' ' 28' ' ' GLN . 13.1 tt0 -123.7 144.8 49.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.878 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.405 ' N ' ' HG2' ' A' ' 27' ' ' GLU . 0.8 OUTLIER -127.31 128.96 23.98 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.647 0.736 . . . . 0.0 110.863 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 119.31 6.28 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.685 2.256 . . . . 0.0 112.358 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -125.64 -173.06 13.55 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.459 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.44 -54.9 40.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.84 0.352 . . . . 0.0 111.096 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 34.0 mt -52.93 -50.18 64.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.06 -66.59 0.15 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -170.1 135.39 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.746 0.307 . . . . 0.0 111.065 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -125.95 141.79 51.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.856 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.658 HD12 ' HE1' ' A' ' 53' ' ' PHE . 8.2 pt -105.71 173.91 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.119 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.513 HD13 ' NE1' ' A' ' 124' ' ' TRP . 42.6 tp -108.76 137.62 46.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.435 ' CD2' ' HB3' ' A' ' 51' ' ' TRP . 9.8 tp -133.44 124.89 27.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.2 m -112.06 137.28 45.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -76.36 152.67 36.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.907 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 121.611 0.719 . . . . 0.0 110.859 -179.947 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.842 0.353 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.435 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 83.1 m95 -81.41 146.0 30.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -174.22 160.14 3.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.696 ' CZ ' ' CE1' ' A' ' 130' ' ' PHE . 22.0 m-85 -68.7 149.42 97.95 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.655 0.74 . . . . 0.0 110.86 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 143.31 50.33 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.673 2.249 . . . . 0.0 112.33 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 99.0 p -143.69 165.44 27.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.85 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 18.2 m -128.13 178.36 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.169 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.8 p -65.41 149.36 50.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.167 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.481 ' CB ' ' HB2' ' A' ' 20' ' ' SER . 88.9 t90 -68.62 147.1 52.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.861 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -132.92 134.87 25.02 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.6 0.714 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 -23.47 31.15 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.639 2.226 . . . . 0.0 112.387 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.1 t -100.54 130.69 46.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.427 ' HG2' ' N ' ' A' ' 63' ' ' GLN . 0.3 OUTLIER -50.93 -36.58 39.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.475 ' O ' ' N ' ' A' ' 66' ' ' ARG . 7.3 tp60 -72.39 -67.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 63' ' ' GLN . 6.8 mp -34.25 -42.48 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.499 ' CD ' ' CB ' ' A' ' 22' ' ' ALA . 3.7 tp-100 -58.36 -48.76 79.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 63' ' ' GLN . 20.1 mtt180 -71.46 -39.64 70.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.7 mttm -55.42 -46.21 76.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.84 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -82.59 -36.61 26.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.442 HD11 ' HB2' ' A' ' 24' ' ' CYS . 50.4 tp -46.82 -51.94 15.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.912 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.545 HD22 ' HB3' ' A' ' 80' ' ' LEU . 76.6 mt -68.82 -43.95 74.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -41.15 -45.8 2.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -71.0 -60.53 2.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.9 mt -38.22 -55.28 1.33 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -46.13 -43.22 14.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.962 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -51.12 -32.75 23.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.85 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -86.09 -75.09 0.39 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -72.81 -71.62 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.075 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 150.06 -100.61 0.21 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.486 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.477 ' O ' HD22 ' A' ' 80' ' ' LEU . 53.4 Cg_endo -69.84 109.23 2.27 Favored 'Trans proline' 0 C--O 1.233 0.251 0 C-N-CA 122.688 2.259 . . . . 0.0 112.36 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.545 ' HB3' HD22 ' A' ' 70' ' ' LEU . 4.5 mm? -123.18 126.45 25.94 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.659 0.742 . . . . 0.0 110.88 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.401 ' HG2' HD21 ' A' ' 107' ' ' LEU . 53.8 Cg_endo -69.71 163.01 39.83 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.662 2.242 . . . . 0.0 112.389 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -102.97 -66.97 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.081 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 84' ' ' HIS . 90.1 m -45.67 -56.71 4.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.443 ' C ' ' O ' ' A' ' 83' ' ' THR . 18.6 m170 -34.06 -57.05 0.48 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.435 HD21 HD23 ' A' ' 69' ' ' LEU . 63.5 tp -39.06 135.97 0.86 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.0 mtp85 -157.62 130.29 7.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.425 ' HB2' ' CE1' ' A' ' 105' ' ' TYR . 19.2 t-80 -69.97 123.3 21.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 29.6 mt -128.27 97.85 4.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 65.81 -173.49 22.1 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.456 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -147.98 171.04 16.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.861 0.362 . . . . 0.0 110.856 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.444 HG23 ' CG2' ' A' ' 104' ' ' VAL . 74.0 t -141.56 106.56 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.158 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' ' 100' ' ' LEU . 93.5 t -120.8 107.58 20.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.554 ' CD2' ' CE1' ' A' ' 95' ' ' PHE . 49.2 t60 -99.06 117.25 33.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 24.7 m -82.44 128.69 34.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.166 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.554 ' CE1' ' CD2' ' A' ' 93' ' ' HIS . 44.7 m-85 -105.28 174.79 5.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 34.6 m -46.68 -68.91 0.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -119.72 27.13 8.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.409 HG22 ' N ' ' A' ' 99' ' ' LYS . 56.9 mt -143.35 152.92 16.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.409 ' N ' HG22 ' A' ' 98' ' ' ILE . 50.7 tttt -135.06 113.03 11.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.605 ' O ' HG13 ' A' ' 92' ' ' VAL . 4.0 mm? -99.75 139.04 36.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.534 ' HA ' HG22 ' A' ' 92' ' ' VAL . 99.1 m -127.12 99.75 5.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.158 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -98.55 147.5 24.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -109.62 116.18 31.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.444 ' CG2' HG23 ' A' ' 91' ' ' VAL . 84.7 t -72.78 124.4 29.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.176 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.425 ' CE1' ' HB2' ' A' ' 87' ' ' HIS . 28.5 m-85 -132.33 130.4 40.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -103.72 140.64 14.99 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.491 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.485 ' C ' HD13 ' A' ' 107' ' ' LEU . 1.0 OUTLIER -155.95 106.41 2.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.813 0.339 . . . . 0.0 110.909 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -126.03 141.41 51.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.086 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 78.6 mt -80.03 104.29 10.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.956 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.947 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.406 ' HB2' HG23 ' A' ' 116' ' ' THR . 54.0 Cg_endo . . . . . 0 N--CA 1.465 -0.167 0 CA-C-O 120.776 0.24 . . . . 0.0 112.35 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.434 ' O ' ' C ' ' A' ' 116' ' ' THR . 7.2 p -98.79 -40.55 9.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.155 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 115' ' ' VAL . 30.0 p 35.33 36.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 90.1 m -152.56 143.05 22.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.219 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.712 ' CG2' ' HB3' ' A' ' 122' ' ' ALA . 14.3 p -168.6 134.17 1.47 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.649 0.738 . . . . 0.0 111.149 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.401 ' HD2' HG23 ' A' ' 118' ' ' VAL . 53.5 Cg_endo -69.83 170.05 17.57 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.655 2.237 . . . . 0.0 112.327 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 3.26 2.86 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.752 2.302 . . . . 0.0 112.378 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -115.45 20.31 13.87 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.486 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.712 ' HB3' ' CG2' ' A' ' 118' ' ' VAL . . . -142.61 160.54 40.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.747 0.308 . . . . 0.0 111.114 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -144.51 138.81 27.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' TRP . . . . . 0.513 ' NE1' HD13 ' A' ' 37' ' ' LEU . 33.7 m95 -106.11 107.49 18.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.947 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.7 pp -124.72 170.24 11.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 34.2 p -77.62 174.0 11.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.128 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -62.94 -45.75 90.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -63.21 -63.82 1.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -37.98 -44.11 0.77 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.878 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.696 ' CE1' ' CZ ' ' A' ' 53' ' ' PHE . 19.6 t80 -49.54 -58.54 5.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.951 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . 0.427 ' C ' ' O ' ' A' ' 130' ' ' PHE . 21.0 m-70 -35.74 -58.24 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.89 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 48.8 p -60.59 -43.48 97.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.162 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.822 ' O ' HG23 ' A' ' 135' ' ' VAL . . . -44.75 130.03 7.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.096 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -54.78 102.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.084 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.822 HG23 ' O ' ' A' ' 133' ' ' ALA . 11.3 t -132.62 145.76 33.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.074 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 8.2 t -65.07 144.64 57.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.879 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 99.7 m -40.57 -63.73 0.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.152 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -42.58 -65.64 0.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.079 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' MET . . . . . 0.642 ' HB2' HG12 ' A' ' 135' ' ' VAL . 40.9 mmm -46.61 -51.81 14.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.871 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . 0.436 ' CG ' ' HB ' ' A' ' 135' ' ' VAL . 17.5 mtpt -51.12 -34.9 32.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.429 ' HA ' ' CD ' ' A' ' 144' ' ' ARG . 18.8 mtpp -73.54 -34.3 65.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.538 HG21 HG21 ' A' ' 23' ' ' THR . 79.2 t -51.91 -29.73 11.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.163 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.461 ' O ' ' N ' ' A' ' 146' ' ' TYR . 64.8 t80 -75.08 -66.9 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.437 ' HB3' ' NH1' ' A' ' 144' ' ' ARG . 1.2 ptp180 -41.57 -42.12 2.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.821 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 58.0 t -64.69 -34.88 72.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . 0.461 ' N ' ' O ' ' A' ' 143' ' ' PHE . 2.2 t80 -71.61 -52.91 15.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.942 179.96 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.218 0 CA-C-O 120.73 0.221 . . . . 0.0 112.31 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 16' ' ' PRO . 11.1 mmt85 -34.31 -68.05 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.942 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -80.58 100.32 8.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -143.5 113.56 7.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.816 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.0 m -125.59 146.26 49.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.9 m -153.46 157.4 39.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.416 ' HB2' ' CD ' ' A' ' 65' ' ' GLN . . . -112.88 115.02 27.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.092 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.533 HG21 HG21 ' A' ' 142' ' ' VAL . 10.0 t -110.82 145.56 37.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.527 ' HB2' HD21 ' A' ' 69' ' ' LEU . 45.8 t -130.19 158.06 40.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.1 t -108.18 122.53 62.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.077 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.502 HD13 HD11 ' A' ' 80' ' ' LEU . 60.9 tp -106.22 116.57 32.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.835 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.474 ' HB2' HG22 ' A' ' 36' ' ' ILE . 31.7 tt0 -125.37 139.33 53.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -130.18 121.97 19.9 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.602 0.715 . . . . 0.0 110.902 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 127.29 14.38 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.638 2.225 . . . . 0.0 112.407 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -122.19 -166.88 12.91 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.47 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.2 -44.22 97.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.781 0.324 . . . . 0.0 111.07 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.2 mt -70.52 -42.39 71.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.07 -96.59 0.11 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.491 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -164.64 119.56 1.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.686 0.279 . . . . 0.0 111.107 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -112.08 164.2 13.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.474 HG22 ' HB2' ' A' ' 27' ' ' GLU . 3.9 pt -109.68 176.53 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.168 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.413 HD13 ' NE1' ' A' ' 124' ' ' TRP . 11.7 tp -109.45 142.95 39.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.979 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.456 HD23 ' HB3' ' A' ' 51' ' ' TRP . 10.1 tp -137.41 129.48 29.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.6 m -114.34 147.19 17.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.097 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -103.13 173.46 6.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.97 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.5 mmt85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 121.593 0.711 . . . . 0.0 110.82 -179.861 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.0 mm? . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.82 0.343 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.496 ' CE3' ' CD ' ' A' ' 123' ' ' ARG . 86.4 m95 -110.41 113.29 25.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.462 ' CB ' ' HG3' ' A' ' 139' ' ' MET . 2.6 pm0 -138.24 176.39 8.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.837 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.527 ' CZ ' ' CE2' ' A' ' 130' ' ' PHE . 12.8 m-85 -75.51 150.58 84.72 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.638 0.733 . . . . 0.0 110.871 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 143.06 49.84 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.718 2.278 . . . . 0.0 112.365 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 89.4 p -146.61 159.99 42.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.58 HG12 ' CB ' ' A' ' 72' ' ' GLU . 10.3 m -124.02 179.63 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.106 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 29.6 p -64.83 136.41 56.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.491 ' CG ' ' N ' ' A' ' 59' ' ' GLU . 78.7 t90 -56.86 169.29 0.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.92 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.491 ' N ' ' CG ' ' A' ' 58' ' ' TRP . 7.5 mm-40 -152.61 135.69 9.5 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.649 0.738 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.443 ' HA ' ' CH2' ' A' ' 58' ' ' TRP . 53.5 Cg_endo -69.71 -19.89 35.77 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.682 2.255 . . . . 0.0 112.344 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -96.67 154.36 17.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.846 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -75.48 -27.75 58.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 43.6 tp60 -85.86 -57.43 3.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.9 mp -42.9 -39.48 2.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.416 ' CD ' ' HB2' ' A' ' 22' ' ' ALA . 18.7 tp60 -54.3 -51.21 65.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 55.1 mtt180 -70.05 -43.68 70.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -43.08 -49.16 6.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 70' ' ' LEU . . . -81.76 -53.17 6.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.109 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.547 HD23 HD21 ' A' ' 85' ' ' LEU . 59.3 tp -34.3 -34.72 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.661 HD22 ' HB3' ' A' ' 80' ' ' LEU . 68.1 mt -86.94 -49.89 7.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' ' 68' ' ' ALA . 0.1 OUTLIER -41.03 -34.62 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.58 ' CB ' HG12 ' A' ' 56' ' ' VAL . 2.6 tp10 -77.64 -57.49 3.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 18.0 mt -39.74 -49.09 2.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -51.62 -47.79 63.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 31.7 mtp180 -49.19 -27.1 3.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 90.1 m95 -90.37 -72.91 0.55 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.409 ' CA ' HG21 ' A' ' 115' ' ' VAL . . . -79.05 -70.04 0.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.099 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 155.21 -104.87 0.26 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.507 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.554 ' O ' HD22 ' A' ' 80' ' ' LEU . 54.3 Cg_endo -69.69 119.6 6.52 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.644 2.23 . . . . 0.0 112.418 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.661 ' HB3' HD22 ' A' ' 70' ' ' LEU . 4.3 mm? -127.35 131.3 23.77 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.579 0.704 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.908 ' HG2' HD21 ' A' ' 107' ' ' LEU . 53.8 Cg_endo -69.71 179.21 3.83 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.7 2.266 . . . . 0.0 112.347 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -124.97 -61.21 1.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 40.9 p -54.0 -49.53 68.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 30.6 m170 -46.98 -47.74 21.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.547 HD21 HD23 ' A' ' 69' ' ' LEU . 47.4 tp -44.45 134.16 5.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.955 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 56.0 mtt180 -156.44 133.36 10.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 105' ' ' TYR . 22.1 t-80 -73.45 125.91 28.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 21.6 mt -128.04 95.11 4.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.954 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.429 ' O ' ' NE2' ' A' ' 87' ' ' HIS . . . 70.65 -174.95 38.31 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.453 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.401 ' HA ' HG23 ' A' ' 104' ' ' VAL . 3.7 pt-20 -147.76 168.75 21.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.848 0.356 . . . . 0.0 110.93 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.552 HG23 ' CG2' ' A' ' 104' ' ' VAL . 76.2 t -137.35 106.1 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.189 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.463 HG22 ' HA ' ' A' ' 101' ' ' THR . 54.2 t -119.05 103.08 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.079 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 21.1 t60 -98.58 111.09 23.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 27.8 m -82.49 109.73 16.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -81.44 -175.93 5.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.8 m -54.47 -67.02 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.414 ' CD2' ' H ' ' A' ' 97' ' ' HIS . 0.3 OUTLIER -119.43 25.8 9.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.872 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 46.6 mt -142.28 147.83 20.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.107 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 51.5 tttt -127.23 110.0 12.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -98.29 140.04 33.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.95 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.463 ' HA ' HG22 ' A' ' 92' ' ' VAL . 91.0 m -128.85 102.8 6.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.163 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -103.33 147.68 26.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.97 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -109.93 113.14 25.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.552 ' CG2' HG23 ' A' ' 91' ' ' VAL . 60.8 t -71.63 124.32 27.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.57 ' CE1' ' HB2' ' A' ' 87' ' ' HIS . 24.1 m-85 -131.08 138.54 49.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.944 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -107.47 142.69 15.84 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.517 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.908 HD21 ' HG2' ' A' ' 81' ' ' PRO . 1.7 tm? -161.69 125.81 3.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.835 0.35 . . . . 0.0 110.847 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.7 ' N ' HD13 ' A' ' 107' ' ' LEU . . . -145.21 158.25 43.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.177 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 87.3 mt -96.36 120.0 35.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 179.929 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo . . . . . 0 N--CA 1.465 -0.179 0 CA-C-O 120.818 0.257 . . . . 0.0 112.412 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.48 ' O ' ' N ' ' A' ' 117' ' ' THR . 7.7 p -100.84 -39.82 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.449 ' C ' ' O ' ' A' ' 115' ' ' VAL . 25.5 p 33.83 34.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.159 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.48 ' N ' ' O ' ' A' ' 115' ' ' VAL . 18.4 m -155.38 129.76 8.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.556 HG23 ' HD2' ' A' ' 119' ' ' PRO . 8.4 p -164.93 137.44 3.59 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.584 0.707 . . . . 0.0 111.114 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.556 ' HD2' HG23 ' A' ' 118' ' ' VAL . 53.6 Cg_endo -69.76 164.26 35.22 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.644 2.229 . . . . 0.0 112.346 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 2.77 3.21 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.67 2.247 . . . . 0.0 112.374 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -107.72 22.31 28.41 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.468 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.418 ' HB3' ' CG2' ' A' ' 118' ' ' VAL . . . -146.06 173.07 12.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.777 0.323 . . . . 0.0 111.113 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.496 ' CD ' ' CE3' ' A' ' 51' ' ' TRP . 14.0 ptm180 -155.14 139.23 16.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' TRP . . . . . 0.413 ' NE1' HD13 ' A' ' 37' ' ' LEU . 33.8 m95 -103.33 103.58 13.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.456 HD23 ' NE ' ' A' ' 123' ' ' ARG . 1.3 pp -121.57 167.88 12.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 7.9 p -79.45 163.92 24.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.159 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -53.95 -42.74 69.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -65.63 -54.24 30.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.909 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -47.3 -34.41 6.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.928 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.527 ' CE2' ' CZ ' ' A' ' 53' ' ' PHE . 4.0 t80 -64.73 -56.79 11.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 130' ' ' PHE . 8.4 m-70 -37.56 -54.02 1.17 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 74.9 p -69.75 -46.22 66.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.597 ' O ' HG23 ' A' ' 135' ' ' VAL . . . -39.37 144.77 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.162 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.56 104.81 1.07 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.104 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.639 HG12 ' HB2' ' A' ' 139' ' ' MET . 2.6 t -132.82 149.42 31.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.183 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 36.1 m -67.96 151.19 47.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.82 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 97.8 m -46.81 -55.6 7.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.134 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -50.82 -66.35 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.158 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' MET . . . . . 0.639 ' HB2' HG12 ' A' ' 135' ' ' VAL . 38.0 mmm -46.32 -47.97 18.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.947 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 14.6 mtpt -50.4 -34.83 25.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.872 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 19.7 mttp -74.42 -34.41 63.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.533 HG21 HG21 ' A' ' 23' ' ' THR . 35.7 t -54.81 -16.77 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.14 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.575 ' CE1' ' HG3' ' A' ' 147' ' ' GLN . 46.2 t80 -91.65 -69.38 0.74 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.56 ' HD2' HG23 ' A' ' 145' ' ' VAL . 0.0 OUTLIER -40.0 -33.31 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.819 -179.846 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.56 HG23 ' HD2' ' A' ' 144' ' ' ARG . 77.9 t -75.26 -41.25 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.077 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . 0.445 ' N ' ' O ' ' A' ' 143' ' ' PHE . 2.0 t80 -69.49 -32.47 71.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.944 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . 0.575 ' HG3' ' CE1' ' A' ' 143' ' ' PHE . 37.9 mm-40 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.168 0 CA-C-O 120.696 0.206 . . . . 0.0 112.344 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 16' ' ' PRO . 40.6 mtp180 -37.29 -60.76 0.64 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -87.32 100.3 12.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.802 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -144.04 113.6 7.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.5 m -121.5 143.5 49.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.4 m -147.77 154.5 40.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.498 ' CB ' ' OE1' ' A' ' 65' ' ' GLN . . . -116.45 111.55 20.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.067 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.5 t -108.25 145.61 34.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.196 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.443 ' HB2' HD21 ' A' ' 69' ' ' LEU . 34.2 t -128.28 160.14 33.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 96.6 t -114.52 107.68 23.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.163 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.2 tp -91.55 126.92 36.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.56 ' HB2' HG22 ' A' ' 36' ' ' ILE . 29.5 tt0 -147.23 157.88 43.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -146.8 151.02 41.21 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.59 0.71 . . . . 0.0 110.92 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 119.81 6.7 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.658 2.239 . . . . 0.0 112.362 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -111.11 -150.75 11.99 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.548 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.68 -57.73 2.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.869 0.366 . . . . 0.0 111.114 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.2 mt -65.61 -44.7 85.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.91 -76.67 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.454 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -170.68 142.59 2.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.66 0.267 . . . . 0.0 111.131 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.43 ' HG3' ' C ' ' A' ' 125' ' ' LEU . 36.4 tt0 -124.25 130.56 52.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.938 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.56 HG22 ' HB2' ' A' ' 27' ' ' GLU . 5.7 pt -95.38 177.02 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.194 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.742 HD13 ' NE1' ' A' ' 124' ' ' TRP . 32.2 tp -109.8 142.54 40.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.947 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.573 ' CD2' HD21 ' A' ' 125' ' ' LEU . 10.0 tp -138.62 121.3 16.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.976 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.0 m -109.53 169.81 3.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.065 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.478 ' HG3' ' CE3' ' A' ' 51' ' ' TRP . 45.2 mt-30 -104.01 163.87 12.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.946 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 121.65 0.738 . . . . 0.0 110.852 -179.942 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.777 0.322 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.625 ' O ' HG13 ' A' ' 135' ' ' VAL . 98.1 m95 -107.21 110.64 22.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.511 ' N ' ' CD ' ' A' ' 52' ' ' GLU . 0.8 OUTLIER -143.57 165.7 26.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.581 ' CZ ' ' CZ ' ' A' ' 130' ' ' PHE . 22.2 m-85 -71.83 151.94 93.2 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.686 0.755 . . . . 0.0 110.825 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 142.09 46.73 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.686 2.257 . . . . 0.0 112.288 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.8 p -145.94 161.56 39.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.817 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.412 ' CG1' ' HB2' ' A' ' 72' ' ' GLU . 12.2 m -124.42 174.84 7.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.156 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 29.1 p -62.05 143.46 56.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.115 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.428 ' CG ' ' N ' ' A' ' 59' ' ' GLU . 72.0 t90 -57.72 167.69 1.05 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.428 ' N ' ' CG ' ' A' ' 58' ' ' TRP . 55.0 mm-40 -156.85 132.26 5.6 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.66 0.743 . . . . 0.0 110.883 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 -19.47 35.69 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.68 2.253 . . . . 0.0 112.302 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -104.92 126.93 52.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.401 ' HG2' ' N ' ' A' ' 63' ' ' GLN . 3.1 pt-20 -49.93 -35.35 23.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.922 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.401 ' N ' ' HG2' ' A' ' 62' ' ' GLU . 19.2 tt0 -72.34 -66.58 0.63 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.0 mp -38.05 -38.25 0.31 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.498 ' OE1' ' CB ' ' A' ' 22' ' ' ALA . 3.3 tp-100 -62.55 -53.55 53.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.524 ' HG2' HD21 ' A' ' 85' ' ' LEU . 74.3 mtm180 -65.27 -42.31 93.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -54.31 -49.6 69.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.95 -38.17 57.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.443 HD21 ' HB2' ' A' ' 24' ' ' CYS . 47.1 tp -49.43 -60.3 2.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.957 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.63 HD22 ' HB3' ' A' ' 80' ' ' LEU . 87.4 mt -55.77 -54.57 42.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 70' ' ' LEU . 31.7 mm-40 -35.82 -41.64 0.23 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.412 ' HB2' ' CG1' ' A' ' 56' ' ' VAL . 20.4 tp10 -71.87 -55.62 7.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 24.2 mt -44.63 -46.89 10.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -54.43 -44.66 72.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -53.44 -30.14 38.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.5 ' CE3' ' HB2' ' A' ' 122' ' ' ALA . 91.9 m95 -88.21 -69.44 0.7 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.692 ' HB1' HG21 ' A' ' 115' ' ' VAL . . . -79.82 -72.35 0.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.085 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 155.39 -105.21 0.27 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.446 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.548 ' O ' HD22 ' A' ' 80' ' ' LEU . 53.5 Cg_endo -69.7 115.11 3.93 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.735 2.29 . . . . 0.0 112.339 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.63 ' HB3' HD22 ' A' ' 70' ' ' LEU . 4.3 mm? -124.95 133.45 24.82 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.652 0.739 . . . . 0.0 110.918 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.716 ' HG2' HD21 ' A' ' 107' ' ' LEU . 54.3 Cg_endo -69.74 178.94 4.06 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.607 2.205 . . . . 0.0 112.393 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -118.76 -64.01 1.33 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.014 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 84' ' ' HIS . 66.7 p -56.85 -50.0 73.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.187 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.44 ' C ' ' O ' ' A' ' 83' ' ' THR . 14.2 m-70 -34.69 -54.42 0.55 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.524 HD21 ' HG2' ' A' ' 66' ' ' ARG . 55.7 tp -42.65 140.97 1.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.952 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 26.3 ptt-85 -160.64 131.76 5.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.959 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 33.2 t-80 -68.47 122.4 18.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 19.9 mt -128.8 93.77 3.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.958 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 65.81 -178.19 12.56 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.477 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -145.22 171.23 14.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.906 0.384 . . . . 0.0 110.89 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 57.0 t -143.25 115.8 3.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.645 HG22 ' HA ' ' A' ' 101' ' ' THR . 65.2 t -125.42 113.2 34.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.216 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 61.7 t60 -99.55 112.08 24.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 32.1 m -81.42 101.91 10.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.443 ' CD2' HD23 ' A' ' 100' ' ' LEU . 32.4 m-85 -71.77 -179.59 2.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 71.4 m -59.06 -52.22 66.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.821 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.447 ' CD2' ' H ' ' A' ' 97' ' ' HIS . 0.2 OUTLIER -130.57 24.38 5.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.449 HG22 ' N ' ' A' ' 99' ' ' LYS . 43.3 mt -143.5 155.18 16.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.449 ' N ' HG22 ' A' ' 98' ' ' ILE . 19.0 tttp -130.03 115.02 16.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.63 ' O ' HG13 ' A' ' 92' ' ' VAL . 4.3 mm? -102.5 135.57 43.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.99 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.645 ' HA ' HG22 ' A' ' 92' ' ' VAL . 89.6 m -122.84 97.84 5.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.119 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -96.15 152.68 18.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.949 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -115.29 114.36 25.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.889 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.611 HG13 HG13 ' A' ' 142' ' ' VAL . 58.2 t -74.38 124.77 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.196 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -133.93 136.65 44.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -112.38 125.5 7.16 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.505 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.716 HD21 ' HG2' ' A' ' 81' ' ' PRO . 2.1 tm? -134.95 103.42 5.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.363 . . . . 0.0 110.958 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -119.63 129.09 54.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.066 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 67.9 mt -75.18 101.54 4.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.947 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 N--CA 1.466 -0.139 0 CA-C-O 120.865 0.277 . . . . 0.0 112.344 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.692 HG21 ' HB1' ' A' ' 77' ' ' ALA . 7.6 p -110.85 -51.43 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.199 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.572 ' N ' HG13 ' A' ' 115' ' ' VAL . 3.3 t 31.95 38.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.123 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.487 ' H ' HG22 ' A' ' 115' ' ' VAL . 77.3 m -151.52 127.36 10.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.153 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.604 ' CG2' ' HB3' ' A' ' 122' ' ' ALA . 13.3 p -151.72 134.17 8.62 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.586 0.707 . . . . 0.0 111.102 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.435 ' HD2' HG23 ' A' ' 118' ' ' VAL . 53.9 Cg_endo -69.71 169.75 18.12 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.672 2.248 . . . . 0.0 112.408 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 3.24 2.9 Favored 'Trans proline' 0 C--N 1.34 0.119 0 C-N-CA 122.635 2.224 . . . . 0.0 112.363 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -110.62 9.31 30.28 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.547 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.604 ' HB3' ' CG2' ' A' ' 118' ' ' VAL . . . -139.22 172.82 12.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.799 0.333 . . . . 0.0 111.064 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -151.99 141.52 21.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' TRP . . . . . 0.742 ' NE1' HD13 ' A' ' 37' ' ' LEU . 34.0 m95 -108.61 112.26 24.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.961 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.573 HD21 ' CD2' ' A' ' 38' ' ' LEU . 1.2 pp -128.48 168.09 16.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 17.6 p -79.86 160.18 26.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.148 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -50.24 -44.75 53.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -61.51 -48.23 82.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -52.86 -44.85 67.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.867 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.705 ' CE1' HG21 ' A' ' 135' ' ' VAL . 36.4 t80 -51.42 -59.95 3.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . 0.434 ' C ' ' O ' ' A' ' 130' ' ' PHE . 16.7 m-70 -35.48 -61.21 0.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 59.0 p -66.79 -26.49 66.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.18 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.916 ' O ' HG23 ' A' ' 135' ' ' VAL . . . -59.84 128.84 38.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.072 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -56.01 102.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.916 HG23 ' O ' ' A' ' 133' ' ' ALA . 2.4 t -132.24 150.02 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.18 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 137' ' ' THR . 35.3 t -64.38 138.44 58.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.647 HG22 ' HE2' ' A' ' 141' ' ' LYS . 73.6 m -36.33 -66.1 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.143 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.437 ' HA ' ' CE ' ' A' ' 141' ' ' LYS . . . -39.78 -64.0 0.53 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.082 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' MET . . . . . 0.551 ' HB2' HG12 ' A' ' 135' ' ' VAL . 36.7 mmm -46.12 -48.23 17.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . 0.423 ' HG2' ' HB ' ' A' ' 135' ' ' VAL . 7.4 mtpp -58.65 -33.54 70.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.647 ' HE2' HG22 ' A' ' 137' ' ' THR . 46.8 mtmt -70.28 -36.57 74.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.849 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.611 HG13 HG13 ' A' ' 104' ' ' VAL . 49.7 t -59.04 -28.26 38.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.16 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -67.56 -67.87 0.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -49.14 -30.73 7.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.455 HG11 HG21 ' A' ' 104' ' ' VAL . 33.1 t -72.25 -29.29 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -82.67 -37.48 24.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.957 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.902 -179.967 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.74 0.225 . . . . 0.0 112.285 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 16' ' ' PRO . 62.3 mtm-85 -37.54 -61.23 0.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -87.37 100.29 12.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.853 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -139.47 113.47 8.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.964 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.416 ' C ' ' HB2' ' A' ' 58' ' ' TRP . 15.8 m -115.95 140.53 49.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.9 m -150.42 149.41 30.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -115.99 114.14 24.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.408 HG23 HG11 ' A' ' 142' ' ' VAL . 9.2 t -108.65 147.94 31.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.544 ' HB2' HD11 ' A' ' 69' ' ' LEU . 49.9 t -129.42 158.32 39.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 89.0 t -111.96 122.31 66.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.422 HD13 HD11 ' A' ' 80' ' ' LEU . 36.0 tp -103.85 120.5 41.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.973 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.463 ' HB3' ' HB2' ' A' ' 108' ' ' ALA . 18.6 tt0 -122.23 145.24 48.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -139.37 153.46 70.88 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.623 0.725 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 132.19 22.84 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.694 2.263 . . . . 0.0 112.365 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -125.89 159.23 20.3 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.452 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.94 -29.1 7.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.832 0.348 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.669 HD23 ' N ' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -88.65 -32.75 17.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.949 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 166.33 -66.25 0.2 Allowed Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.463 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -163.52 155.64 17.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.744 0.307 . . . . 0.0 111.106 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -146.32 143.58 29.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.9 pt -106.01 172.82 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.204 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.2 tp -105.74 141.01 37.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.452 HD22 HD21 ' A' ' 125' ' ' LEU . 10.2 tp -138.92 121.6 16.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.859 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.525 HG12 ' HB2' ' A' ' 122' ' ' ALA . 21.7 m -113.18 130.05 67.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -105.55 142.09 35.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 56.5 mtm180 . . . . . 0 C--N 1.33 -0.267 0 CA-C-O 121.628 0.727 . . . . 0.0 110.855 -179.915 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.611 ' CD1' ' HB1' ' A' ' 134' ' ' ALA . 1.7 mm? . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.807 0.337 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.539 ' O ' HG13 ' A' ' 135' ' ' VAL . 91.6 m95 -93.17 127.16 38.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -154.5 162.74 41.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.686 ' CZ ' ' CE1' ' A' ' 130' ' ' PHE . 22.7 m-85 -67.51 148.33 98.65 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.718 0.771 . . . . 0.0 110.877 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 143.8 52.09 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.691 2.26 . . . . 0.0 112.316 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 56.0 p -146.53 167.05 24.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.85 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.0 m -129.87 169.9 20.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.131 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.8 t -59.46 150.59 26.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.416 ' HB2' ' C ' ' A' ' 20' ' ' SER . 79.7 t90 -62.36 154.3 28.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -138.54 132.54 16.51 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.693 0.759 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -29.65 23.52 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.642 2.228 . . . . 0.0 112.393 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 t -93.31 128.83 39.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -49.78 -36.92 27.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.829 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 64' ' ' LEU . 31.3 tp60 -72.84 -67.58 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 63' ' ' GLN . 8.7 mp -34.38 -42.99 0.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.3 -58.07 9.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.962 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 56.6 mtp180 -62.31 -37.7 86.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -57.76 -59.13 5.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.34 -33.67 76.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.544 HD11 ' HB2' ' A' ' 24' ' ' CYS . 48.3 tp -54.33 -52.38 61.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.582 HD22 ' HB3' ' A' ' 80' ' ' LEU . 69.5 mt -64.4 -53.78 43.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 70' ' ' LEU . 13.7 mm-40 -35.29 -55.22 0.64 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -57.34 -50.77 71.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.7 mt -49.64 -50.04 44.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -52.4 -40.54 62.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -52.07 -32.66 35.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.487 ' CD2' HG11 ' A' ' 39' ' ' VAL . 82.8 m95 -86.04 -70.32 0.61 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.988 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.517 ' HB1' HG21 ' A' ' 115' ' ' VAL . . . -79.11 -71.19 0.45 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 149.91 -100.07 0.2 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.513 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.523 ' O ' HD22 ' A' ' 80' ' ' LEU . 53.8 Cg_endo -69.86 113.38 3.37 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.661 2.24 . . . . 0.0 112.373 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.582 ' HB3' HD22 ' A' ' 70' ' ' LEU . 4.3 mm? -125.15 136.85 28.71 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.629 0.728 . . . . 0.0 110.91 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.526 ' HG2' HD21 ' A' ' 107' ' ' LEU . 54.1 Cg_endo -69.73 -168.6 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.667 2.245 . . . . 0.0 112.32 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -131.41 -67.05 0.71 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 72.1 p -55.63 -40.7 72.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -43.75 -43.99 6.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.888 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.471 HD11 ' HB3' ' A' ' 105' ' ' TYR . 47.1 tp -53.8 130.82 38.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 58.0 mtt180 -149.38 127.28 11.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 -68.65 122.37 18.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.823 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 20.0 mt -125.96 91.17 3.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 71.67 -170.11 49.27 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.521 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -148.95 171.07 16.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.935 0.398 . . . . 0.0 110.837 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 43.3 t -142.27 107.23 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.146 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.593 HG22 HG23 ' A' ' 101' ' ' THR . 55.0 t -116.09 107.21 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.745 ' CD2' ' CE1' ' A' ' 95' ' ' PHE . 8.7 t60 -101.71 146.6 27.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 31.4 m -111.43 115.73 29.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.128 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.745 ' CE1' ' CD2' ' A' ' 93' ' ' HIS . 29.1 m-85 -102.84 174.5 5.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.542 ' O ' ' N ' ' A' ' 98' ' ' ILE . 2.5 m -46.9 124.36 6.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.582 ' O ' ' CG ' ' A' ' 97' ' ' HIS . 0.7 OUTLIER 35.24 29.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.542 ' N ' ' O ' ' A' ' 96' ' ' SER . 61.4 mt -146.61 151.12 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.103 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.1 ttpt -135.15 123.07 22.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -107.85 150.47 26.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.854 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.593 HG23 HG22 ' A' ' 92' ' ' VAL . 92.4 m -134.19 106.01 6.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -105.0 142.11 35.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 43.6 mm-40 -105.51 114.58 28.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.744 HG22 HG13 ' A' ' 142' ' ' VAL . 61.9 t -70.06 123.08 23.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.088 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.471 ' HB3' HD11 ' A' ' 85' ' ' LEU . 50.3 m-85 -130.97 133.98 46.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.965 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -103.19 149.89 17.6 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.462 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.703 HD13 ' N ' ' A' ' 108' ' ' ALA . 0.4 OUTLIER -167.33 123.85 1.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.887 0.375 . . . . 0.0 110.95 -179.889 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.703 ' N ' HD13 ' A' ' 107' ' ' LEU . . . -150.22 161.57 42.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.089 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 65.9 mt -105.98 102.09 11.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.908 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.147 0 CA-C-O 120.829 0.262 . . . . 0.0 112.329 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.517 HG21 ' HB1' ' A' ' 77' ' ' ALA . 5.1 p -112.04 -37.0 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.156 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.453 ' C ' ' O ' ' A' ' 115' ' ' VAL . 7.7 p 34.01 38.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.122 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.405 ' N ' ' O ' ' A' ' 115' ' ' VAL . 24.4 m -154.64 121.77 5.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.403 ' O ' HG13 ' A' ' 118' ' ' VAL . 9.4 p -163.82 130.24 2.32 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.578 0.704 . . . . 0.0 111.123 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 168.43 21.54 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.634 2.223 . . . . 0.0 112.37 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -0.73 7.29 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.66 2.24 . . . . 0.0 112.343 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -100.63 4.36 56.49 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.493 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.525 ' HB2' HG12 ' A' ' 39' ' ' VAL . . . -135.68 169.11 18.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.761 0.315 . . . . 0.0 111.094 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.48 ' CZ ' ' HB2' ' A' ' 123' ' ' ARG . 2.9 ptm85 -153.06 146.23 24.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 29.2 m95 -105.95 106.47 17.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.452 HD21 HD22 ' A' ' 38' ' ' LEU . 1.3 pp -120.81 169.17 10.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.928 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 10.2 p -81.8 171.03 15.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.163 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 16.6 mp0 -60.23 -47.54 85.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -64.63 -40.53 95.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -59.77 -33.75 72.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.96 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.686 ' CE1' ' CZ ' ' A' ' 53' ' ' PHE . 4.8 t80 -61.92 -60.79 3.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . 0.441 ' C ' ' O ' ' A' ' 130' ' ' PHE . 19.1 m-70 -34.45 -58.07 0.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.825 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 82.2 p -62.79 -43.04 99.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.131 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.479 ' O ' HG23 ' A' ' 135' ' ' VAL . . . -40.56 148.95 0.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.611 ' HB1' ' CD1' ' A' ' 50' ' ' LEU . . . -70.05 95.28 0.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.169 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.544 HG12 ' HB2' ' A' ' 139' ' ' MET . 2.0 t -128.77 143.64 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 13.9 m -72.7 152.96 41.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.862 HG22 ' HD2' ' A' ' 141' ' ' LYS . 31.8 m -43.53 -65.72 0.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.149 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 137' ' ' THR . . . -34.56 -69.93 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.15 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' MET . . . . . 0.544 ' HB2' HG12 ' A' ' 135' ' ' VAL . 40.2 mmm -51.24 -44.52 61.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . 0.43 ' CG ' ' HB ' ' A' ' 135' ' ' VAL . 53.6 mttt -59.73 -23.97 63.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.862 ' HD2' HG22 ' A' ' 137' ' ' THR . 36.2 mtpt -82.42 -31.62 29.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.744 HG13 HG22 ' A' ' 104' ' ' VAL . 91.2 t -68.15 -11.25 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.083 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -86.0 -63.07 1.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -49.12 -25.26 2.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 141' ' ' LYS . 97.0 t -80.18 -43.65 22.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -61.69 -41.08 97.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.961 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.908 -179.992 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.138 0 CA-C-O 120.746 0.228 . . . . 0.0 112.315 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 16' ' ' PRO . 43.8 mtt180 -37.63 -56.34 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.866 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -91.17 100.13 13.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -140.25 113.35 8.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.8 p -118.48 142.45 47.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.834 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.3 m -157.33 156.69 32.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.94 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -124.65 117.95 25.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.559 ' CG2' HG11 ' A' ' 142' ' ' VAL . 14.8 t -111.17 151.03 28.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.508 ' HB2' HD11 ' A' ' 69' ' ' LEU . 8.2 t -126.42 159.3 33.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.856 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 77.7 t -113.6 91.15 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 31.8 tp -78.54 117.69 19.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.492 ' HB2' HG22 ' A' ' 36' ' ' ILE . 9.9 tt0 -131.97 145.84 51.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.477 ' N ' ' HG2' ' A' ' 27' ' ' GLU . 0.5 OUTLIER -135.6 149.41 69.14 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.577 0.703 . . . . 0.0 110.99 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 121.68 8.38 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.726 2.284 . . . . 0.0 112.393 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -119.14 166.87 13.14 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.486 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.54 -55.85 8.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.845 0.355 . . . . 0.0 111.102 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 74.7 mt -60.52 -43.16 97.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.73 -69.08 0.1 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.51 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -164.72 157.23 16.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.71 0.29 . . . . 0.0 111.121 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.456 ' HG3' HG22 ' A' ' 126' ' ' THR . 0.9 OUTLIER -144.78 145.68 31.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.88 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.492 HG22 ' HB2' ' A' ' 27' ' ' GLU . 6.0 pt -111.03 176.53 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.568 HD11 ' HB1' ' A' ' 122' ' ' ALA . 36.2 tp -110.98 142.39 43.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.48 ' CD2' ' HB3' ' A' ' 51' ' ' TRP . 11.2 tp -140.25 121.12 14.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 28.3 m -111.43 141.67 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -93.3 163.21 13.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.983 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 121.559 0.695 . . . . 0.0 110.91 -179.932 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.772 0.32 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.48 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 97.2 m95 -80.79 132.42 35.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -161.92 152.36 17.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.617 ' CZ ' ' CE1' ' A' ' 130' ' ' PHE . 9.1 m-85 -57.1 148.25 52.02 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.639 0.733 . . . . 0.0 110.87 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.73 140.9 43.91 Favored 'Trans proline' 0 N--CA 1.465 -0.2 0 C-N-CA 122.733 2.289 . . . . 0.0 112.381 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.0 p -139.18 163.84 31.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.832 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.484 HG11 ' HA ' ' A' ' 69' ' ' LEU . 17.7 m -127.01 179.61 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 19.0 p -67.41 139.98 57.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.501 ' CH2' ' HA ' ' A' ' 60' ' ' PRO . 83.9 t90 -51.45 162.05 0.4 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.407 ' HB2' ' CD ' ' A' ' 65' ' ' GLN . 5.4 mm-40 -151.95 129.05 5.56 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.607 0.718 . . . . 0.0 110.945 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.501 ' HA ' ' CH2' ' A' ' 58' ' ' TRP . 53.5 Cg_endo -69.76 -29.07 24.45 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.708 2.272 . . . . 0.0 112.325 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.1 t -93.56 132.65 37.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.829 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.422 ' HG2' ' N ' ' A' ' 63' ' ' GLN . 0.6 OUTLIER -53.06 -37.21 61.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.422 ' N ' ' HG2' ' A' ' 62' ' ' GLU . 44.2 tt0 -72.48 -66.49 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 63' ' ' GLN . 9.3 mp -36.67 -41.75 0.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.407 ' CD ' ' HB2' ' A' ' 59' ' ' GLU . 8.2 tp60 -57.51 -48.41 79.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.423 ' HG2' ' CD2' ' A' ' 85' ' ' LEU . 16.6 mtp180 -72.23 -32.13 66.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -58.23 -59.66 4.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.86 -38.9 73.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.508 HD11 ' HB2' ' A' ' 24' ' ' CYS . 53.2 tp -51.41 -53.86 32.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.579 HD22 ' HB3' ' A' ' 80' ' ' LEU . 83.0 mt -64.27 -50.12 69.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.452 ' HA ' ' NE2' ' A' ' 74' ' ' GLN . 14.4 mm-40 -35.94 -48.37 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.1 tp10 -65.61 -58.02 6.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.94 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.2 mt -40.23 -54.87 2.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.452 ' NE2' ' HA ' ' A' ' 71' ' ' GLN . 44.8 mt-30 -48.24 -38.06 17.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -55.13 -31.36 61.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 60.5 m95 -88.62 -71.88 0.57 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.454 ' HA ' HG21 ' A' ' 115' ' ' VAL . . . -74.8 -72.92 0.26 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.11 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 150.8 -97.63 0.18 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.506 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 108.2 2.03 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.752 2.302 . . . . 0.0 112.29 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.579 ' HB3' HD22 ' A' ' 70' ' ' LEU . 4.3 mm? -119.43 126.84 26.77 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.675 0.75 . . . . 0.0 110.857 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.741 ' HG2' HD21 ' A' ' 107' ' ' LEU . 53.7 Cg_endo -69.79 -179.44 2.93 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.675 2.25 . . . . 0.0 112.368 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -120.55 -72.51 0.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.104 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 47.8 m -49.64 -49.89 45.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.191 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 -39.01 -36.23 0.27 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.423 ' CD2' ' HG2' ' A' ' 66' ' ' ARG . 25.0 tp -64.33 128.25 34.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 28.8 mtt85 -145.19 105.28 4.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.44 ' NE2' ' O ' ' A' ' 89' ' ' GLY . 13.2 t-80 -42.2 129.09 3.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 25.6 mt -123.94 90.03 3.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.44 ' O ' ' NE2' ' A' ' 87' ' ' HIS . . . 60.84 -170.3 8.12 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.495 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -146.44 171.02 15.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.921 0.391 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.452 HG21 ' HA ' ' A' ' 142' ' ' VAL . 77.3 t -140.58 117.03 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.199 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.587 HG22 ' HA ' ' A' ' 101' ' ' THR . 54.6 t -129.91 106.4 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.077 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 37.7 t60 -98.68 107.0 19.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.848 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.7 p -79.7 101.68 8.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.135 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.423 ' N ' ' O ' ' A' ' 98' ' ' ILE . 64.8 m-85 -70.93 -179.88 2.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.9 t -47.77 -68.06 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.923 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.563 ' CD2' HG13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -120.27 28.04 8.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.563 HG13 ' CD2' ' A' ' 97' ' ' HIS . 60.8 mt -144.55 146.76 19.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 28.1 tttm -126.77 118.06 23.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.488 ' O ' HG13 ' A' ' 92' ' ' VAL . 4.1 mm? -105.5 140.72 38.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.994 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.587 ' HA ' HG22 ' A' ' 92' ' ' VAL . 90.9 m -123.63 109.33 13.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.109 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -109.09 139.58 43.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.94 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -103.48 110.09 21.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.836 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.597 HG22 HG13 ' A' ' 142' ' ' VAL . 65.7 t -69.94 123.97 24.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.148 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -134.04 127.17 31.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -109.29 119.49 5.53 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.514 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.741 HD21 ' HG2' ' A' ' 81' ' ' PRO . 1.7 tm? -135.31 109.58 8.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.867 0.365 . . . . 0.0 110.913 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.429 ' N ' HD13 ' A' ' 107' ' ' LEU . . . -124.22 140.37 53.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.078 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 87.6 mt -78.2 101.45 7.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 179.943 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.23 0.111 0 CA-C-O 120.844 0.269 . . . . 0.0 112.318 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' ' 117' ' ' THR . 10.3 p -94.56 -45.69 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.118 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.514 ' N ' HG13 ' A' ' 115' ' ' VAL . 43.7 p 45.86 30.4 0.86 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.521 ' O ' HG22 ' A' ' 115' ' ' VAL . 5.8 t -170.0 151.25 3.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.606 ' CG2' ' HB3' ' A' ' 122' ' ' ALA . 11.0 p -154.9 137.18 9.89 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.621 0.724 . . . . 0.0 111.145 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.557 ' HD2' HG23 ' A' ' 118' ' ' VAL . 54.0 Cg_endo -69.8 169.97 17.71 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.698 2.265 . . . . 0.0 112.306 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 116.73 4.7 Favored 'Trans proline' 0 N--CA 1.464 -0.225 0 C-N-CA 122.738 2.292 . . . . 0.0 112.359 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 127.83 -26.43 4.81 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.406 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.606 ' HB3' ' CG2' ' A' ' 118' ' ' VAL . . . -98.44 148.11 24.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.824 0.345 . . . . 0.0 111.105 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.464 ' HB3' ' CZ3' ' A' ' 51' ' ' TRP . 7.1 ttt180 -122.1 141.7 51.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 28.2 m95 -117.4 103.59 10.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.448 HD23 ' NE ' ' A' ' 123' ' ' ARG . 1.7 pp -125.67 169.96 12.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . 0.456 HG22 ' HG3' ' A' ' 35' ' ' GLN . 22.7 p -78.27 161.97 26.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -51.45 -43.78 62.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -65.99 -46.8 76.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -50.58 -45.61 57.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.617 ' CE1' ' CZ ' ' A' ' 53' ' ' PHE . 25.1 t80 -50.76 -53.89 28.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.877 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -42.5 -53.4 4.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.855 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 51.9 p -70.86 -33.78 70.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.179 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.879 ' O ' HG23 ' A' ' 135' ' ' VAL . . . -52.39 139.55 24.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.033 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -54.77 96.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.879 HG23 ' O ' ' A' ' 133' ' ' ALA . 3.1 t -132.76 137.85 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 7.9 p -64.94 157.2 28.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.821 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.733 HG22 ' HD2' ' A' ' 141' ' ' LYS . 47.7 m -49.55 -57.76 6.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -45.58 -70.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.033 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' MET . . . . . 0.563 ' HB2' HG12 ' A' ' 135' ' ' VAL . 39.0 mmm -46.02 -46.33 16.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . 0.467 ' CG ' ' HB ' ' A' ' 135' ' ' VAL . 73.6 mttt -57.06 -31.43 65.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.733 ' HD2' HG22 ' A' ' 137' ' ' THR . 15.7 mtpp -73.59 -41.28 63.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.597 HG13 HG22 ' A' ' 104' ' ' VAL . 69.2 t -53.89 -15.4 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.138 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.446 ' O ' ' N ' ' A' ' 146' ' ' TYR . 87.5 t80 -82.38 -70.2 0.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.912 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -39.71 -29.99 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.4 ' N ' ' O ' ' A' ' 143' ' ' PHE . 86.7 t -69.62 -43.21 80.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . 0.446 ' N ' ' O ' ' A' ' 143' ' ' PHE . 2.4 t80 -66.11 -46.32 78.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.947 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.5 Cg_endo . . . . . 0 C--O 1.232 0.208 0 CA-C-O 120.729 0.221 . . . . 0.0 112.288 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 16' ' ' PRO . 37.9 mtp180 -35.82 -71.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.938 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -85.3 117.84 24.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -149.92 112.65 4.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.409 ' C ' ' HB2' ' A' ' 58' ' ' TRP . 14.6 m -116.32 140.34 49.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.6 m -154.43 157.35 38.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.887 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -121.18 105.03 10.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.127 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.8 t -99.0 140.4 33.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.174 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 46.4 t -113.44 162.91 15.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 74.0 t -117.72 88.82 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.541 HD23 HD22 ' A' ' 37' ' ' LEU . 28.4 tp -74.31 123.63 24.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.983 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -136.17 145.02 45.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.512 ' HG3' HD12 ' A' ' 109' ' ' LEU . 10.2 tt0 -140.2 140.87 24.56 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.609 0.719 . . . . 0.0 110.888 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.464 ' HD2' ' CG ' ' A' ' 28' ' ' GLN . 54.7 Cg_endo -69.71 133.28 25.27 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.673 2.249 . . . . 0.0 112.408 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -126.23 -144.92 6.24 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.48 -65.01 1.04 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.759 0.314 . . . . 0.0 111.047 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.1 mt -57.98 -42.26 84.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.854 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.52 -78.74 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.474 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.45 146.71 13.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.679 0.276 . . . . 0.0 111.118 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -131.31 158.86 39.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.7 pt -109.93 176.52 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.134 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.541 HD22 HD23 ' A' ' 26' ' ' LEU . 6.3 tp -111.65 140.97 45.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.485 ' CD2' ' HB3' ' A' ' 51' ' ' TRP . 9.4 tp -132.88 144.29 50.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.94 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.453 HG11 ' CE2' ' A' ' 76' ' ' TRP . 4.5 m -119.24 159.39 20.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -106.79 130.37 54.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.4 mmp_? . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 121.596 0.713 . . . . 0.0 110.832 -179.895 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.479 HD22 ' N ' ' A' ' 50' ' ' LEU . 2.9 mm? . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.848 0.356 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.485 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 61.2 m95 -76.84 133.5 39.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.405 ' O ' HG22 ' A' ' 39' ' ' VAL . 5.1 mt-10 -153.02 170.06 21.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.57 ' CZ ' ' CE2' ' A' ' 130' ' ' PHE . 22.7 m-85 -76.6 143.91 72.72 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.639 0.733 . . . . 0.0 110.862 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 139.27 39.82 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.675 2.25 . . . . 0.0 112.359 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 77.3 p -146.71 167.87 22.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.4 m -126.62 177.76 5.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.181 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 29.4 p -66.49 128.41 36.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.114 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.409 ' HB2' ' C ' ' A' ' 20' ' ' SER . 80.0 t90 -44.27 150.8 0.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.431 ' HG3' ' C ' ' A' ' 64' ' ' LEU . 26.6 mm-40 -130.06 136.22 28.7 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.611 0.72 . . . . 0.0 110.897 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -21.77 33.24 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.749 2.3 . . . . 0.0 112.303 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 t -107.14 143.59 35.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.888 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -63.77 -20.78 66.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.852 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.3 tp60 -87.14 -54.41 4.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.431 ' C ' ' HG3' ' A' ' 59' ' ' GLU . 1.9 mp -50.58 -32.19 17.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -64.04 -66.71 0.51 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.962 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.613 ' HB3' HD23 ' A' ' 85' ' ' LEU . 34.0 mtm180 -59.53 -29.25 67.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.819 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.4 mtmt -62.14 -60.24 3.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.15 -31.11 68.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.586 HD23 HD21 ' A' ' 85' ' ' LEU . 15.2 tp -53.76 -57.78 9.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.916 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.43 HD22 ' HB3' ' A' ' 80' ' ' LEU . 91.5 mt -58.94 -50.02 75.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -40.89 -34.34 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -79.98 -56.72 4.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 30.7 mt -41.38 -47.16 3.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.954 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -53.6 -37.73 63.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -54.43 -30.32 52.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.453 ' CE2' HG11 ' A' ' 39' ' ' VAL . 61.7 m95 -93.68 -71.6 0.65 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.94 -71.7 0.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.106 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 145.31 -98.62 0.2 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.508 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.431 ' C ' HD22 ' A' ' 80' ' ' LEU . 53.6 Cg_endo -69.84 106.34 1.66 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.671 2.247 . . . . 0.0 112.353 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.431 HD22 ' C ' ' A' ' 79' ' ' PRO . 4.5 mm? -121.37 127.24 26.21 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.61 0.719 . . . . 0.0 110.935 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.646 ' HG2' HD21 ' A' ' 107' ' ' LEU . 53.7 Cg_endo -69.64 -177.62 1.92 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.675 2.25 . . . . 0.0 112.359 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -124.7 -57.75 1.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.032 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 27.7 m -55.6 -44.66 77.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -54.67 -35.11 63.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.613 HD23 ' HB3' ' A' ' 66' ' ' ARG . 37.5 tp -63.92 130.15 42.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 -151.79 164.08 37.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.658 ' C ' HD23 ' A' ' 88' ' ' LEU . 7.7 t-80 -99.69 124.74 45.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.832 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.658 HD23 ' C ' ' A' ' 87' ' ' HIS . 1.9 mt -126.51 95.36 4.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 68.75 177.07 13.22 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.469 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -134.57 165.09 26.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.844 0.354 . . . . 0.0 110.907 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.761 HG21 ' HA ' ' A' ' 142' ' ' VAL . 58.5 t -137.91 112.05 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.084 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.434 HG13 ' O ' ' A' ' 100' ' ' LEU . 55.5 t -125.73 106.84 16.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.126 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.706 ' CD2' ' CE1' ' A' ' 95' ' ' PHE . 15.3 t60 -100.94 135.4 42.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.77 119.12 37.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.207 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.706 ' CE1' ' CD2' ' A' ' 93' ' ' HIS . 70.4 m-85 -104.28 178.96 4.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.402 ' O ' ' CG ' ' A' ' 97' ' ' HIS . 22.9 t -52.86 116.34 2.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.797 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.402 ' CG ' ' O ' ' A' ' 96' ' ' SER . 25.5 p-80 42.22 28.83 0.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.519 HG22 ' N ' ' A' ' 99' ' ' LYS . 73.0 mt -138.77 159.72 30.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.519 ' N ' HG22 ' A' ' 98' ' ' ILE . 5.0 ttpt -139.03 127.19 22.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.929 179.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.434 ' O ' HG13 ' A' ' 92' ' ' VAL . 3.6 mm? -118.05 143.12 46.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.931 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 92.8 m -129.76 111.15 12.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.104 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -112.1 132.38 54.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.956 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -98.04 115.2 27.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.836 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.653 ' CG2' HG23 ' A' ' 91' ' ' VAL . 67.4 t -71.17 123.93 26.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.065 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -134.99 103.92 5.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -84.67 134.66 12.85 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.646 HD21 ' HG2' ' A' ' 81' ' ' PRO . 3.3 tm? -151.69 115.38 4.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 110.925 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -131.78 157.18 44.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.512 HD12 ' HG3' ' A' ' 28' ' ' GLN . 67.4 mt -88.89 106.59 18.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.974 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.974 179.922 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.196 0 CA-C-O 120.826 0.261 . . . . 0.0 112.37 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.431 ' O ' ' C ' ' A' ' 116' ' ' THR . 7.5 p -120.72 -39.48 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 115' ' ' VAL . 5.8 p 34.6 45.02 0.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 80.1 m -165.89 120.94 1.23 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.149 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.667 ' CG2' ' HB3' ' A' ' 122' ' ' ALA . 13.5 p -144.88 136.08 12.52 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.577 0.703 . . . . 0.0 111.205 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.505 ' HD2' HG23 ' A' ' 118' ' ' VAL . 53.6 Cg_endo -69.72 165.56 30.51 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.744 2.296 . . . . 0.0 112.288 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 97.23 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.724 2.283 . . . . 0.0 112.33 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 146.04 -10.26 1.58 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.486 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.667 ' HB3' ' CG2' ' A' ' 118' ' ' VAL . . . -114.16 153.96 28.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.341 . . . . 0.0 111.09 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.419 ' HB3' ' CZ3' ' A' ' 51' ' ' TRP . 11.8 ttm-85 -132.63 148.67 52.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 37.1 m95 -112.38 101.47 9.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.957 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.447 ' HB2' ' CB ' ' A' ' 129' ' ' GLU . 1.5 pp -120.96 169.54 10.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.945 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 5.3 p -91.07 164.47 13.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.421 ' H ' ' CD ' ' A' ' 127' ' ' GLN . 2.0 mp0 -48.78 -47.11 42.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -61.83 -38.85 89.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.447 ' CB ' ' HB2' ' A' ' 125' ' ' LEU . 36.5 mm-40 -63.93 -47.25 81.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.67 ' O ' ' HB3' ' A' ' 133' ' ' ALA . 9.7 t80 -49.78 -55.32 14.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.823 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 130' ' ' PHE . 3.2 m-70 -38.21 -63.19 0.51 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 64.0 p -57.9 -27.45 63.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.187 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.67 ' HB3' ' O ' ' A' ' 130' ' ' PHE . . . -57.07 153.59 11.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.075 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.411 ' HB1' HD12 ' A' ' 50' ' ' LEU . . . -80.24 99.64 7.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.143 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.775 HG12 ' HB2' ' A' ' 139' ' ' MET . 0.5 OUTLIER -130.91 158.49 43.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 137' ' ' THR . 3.6 p -85.46 149.27 25.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.811 HG22 ' HE2' ' A' ' 141' ' ' LYS . 55.5 m -34.42 -68.6 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.185 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.47 ' O ' HG23 ' A' ' 142' ' ' VAL . . . -38.61 -59.42 0.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' MET . . . . . 0.775 ' HB2' HG12 ' A' ' 135' ' ' VAL . 44.5 mmm -58.96 -29.23 67.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.927 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 137' ' ' THR . 14.0 mtpt -76.74 -31.63 57.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.879 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.811 ' HE2' HG22 ' A' ' 137' ' ' THR . 0.1 OUTLIER -89.76 -11.66 41.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.761 ' HA ' HG21 ' A' ' 91' ' ' VAL . 3.7 t -74.61 -18.8 16.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.487 ' CZ ' ' CD ' ' A' ' 147' ' ' GLN . 38.7 t80 -91.23 -47.52 7.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.5 -19.26 14.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.857 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.524 HG11 HG21 ' A' ' 104' ' ' VAL . 30.3 t -82.75 -19.28 10.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.094 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . 0.484 ' HD1' HD12 ' A' ' 88' ' ' LEU . 1.5 t80 -94.29 -31.08 14.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.941 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . 0.487 ' CD ' ' CZ ' ' A' ' 143' ' ' PHE . 19.3 mt-30 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.1 Cg_endo . . . . . 0 N--CA 1.466 -0.146 0 CA-C-O 120.822 0.259 . . . . 0.0 112.348 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 16' ' ' PRO . 19.1 mtp180 -33.32 -74.07 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 3.5 tp10 -85.56 119.03 25.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -149.56 112.48 4.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.92 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.2 m -115.77 137.32 52.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.806 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.7 m -154.38 155.47 35.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.865 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -117.94 112.31 20.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.065 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.8 t -103.8 141.78 35.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.787 ' HB3' HD11 ' A' ' 69' ' ' LEU . 16.1 t -125.59 158.68 34.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.411 ' N ' ' SG ' ' A' ' 24' ' ' CYS . 84.6 t -113.35 124.62 70.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.173 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.423 HD23 HD22 ' A' ' 37' ' ' LEU . 12.9 tp -109.51 118.9 37.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -126.62 147.48 49.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.83 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.454 ' HG2' ' CZ3' ' A' ' 124' ' ' TRP . 3.4 pt20 -138.79 149.37 61.79 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.671 0.748 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 117.08 4.87 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.66 2.24 . . . . 0.0 112.333 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -106.75 -160.39 21.91 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.473 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.77 -62.24 1.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.802 0.334 . . . . 0.0 111.07 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 34.3 mt -61.46 -45.85 92.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -168.67 -85.42 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.511 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -156.8 156.19 32.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.723 0.296 . . . . 0.0 111.119 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.491 ' CG ' HG22 ' A' ' 126' ' ' THR . 13.4 mt-30 -139.08 153.44 48.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.6 pt -112.27 173.03 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.121 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.423 HD22 HD23 ' A' ' 26' ' ' LEU . 10.2 tp -103.92 134.3 47.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.458 ' CD2' HD21 ' A' ' 125' ' ' LEU . 10.0 tp -134.86 123.9 24.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.971 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 23.6 m -106.58 157.8 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.214 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -105.14 147.14 28.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 42.8 mtp180 . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 121.619 0.723 . . . . 0.0 110.855 -179.909 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.479 HD12 ' HB1' ' A' ' 134' ' ' ALA . 4.5 mm? . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.752 0.31 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.537 ' O ' HG13 ' A' ' 135' ' ' VAL . 79.6 m95 -114.96 124.87 52.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.933 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.406 ' HA ' HG13 ' A' ' 135' ' ' VAL . 1.3 pm0 -153.84 156.11 37.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.685 ' CZ ' ' CE1' ' A' ' 130' ' ' PHE . 24.3 m-85 -58.42 146.82 70.83 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.62 0.724 . . . . 0.0 110.923 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 139.8 41.28 Favored 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.721 2.281 . . . . 0.0 112.368 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 85.4 p -146.08 165.06 30.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.1 m -126.22 171.41 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.7 t -56.32 153.82 9.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 85.2 t90 -68.11 142.45 55.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -125.59 130.35 24.11 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.692 0.758 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -22.96 31.38 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.683 2.256 . . . . 0.0 112.321 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.3 t -95.28 137.09 34.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -59.01 -24.28 62.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -86.2 -62.37 1.53 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.5 mp -39.49 -38.72 0.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -57.65 -54.67 44.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.406 ' NH2' ' O ' ' A' ' 82' ' ' ALA . 65.5 mtp180 -65.43 -52.21 54.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -44.7 -68.09 0.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.939 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.56 -46.85 83.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.069 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.787 HD11 ' HB3' ' A' ' 24' ' ' CYS . 2.3 tp -43.2 -43.53 4.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.511 HD22 ' HB3' ' A' ' 80' ' ' LEU . 53.2 mt -76.11 -48.6 20.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.956 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 70' ' ' LEU . 82.8 mt-30 -35.29 -48.46 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.3 tp10 -66.97 -55.06 16.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.5 mt -41.94 -46.97 4.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -56.2 -43.4 78.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.941 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 47.8 mtp180 -49.47 -32.73 12.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 71.9 m95 -87.11 -69.38 0.69 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.707 ' HB1' HG21 ' A' ' 115' ' ' VAL . . . -76.49 -70.41 0.45 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.081 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 147.76 -102.3 0.24 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.456 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 108.22 2.04 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.636 2.224 . . . . 0.0 112.305 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.511 ' HB3' HD22 ' A' ' 70' ' ' LEU . 4.4 mm? -119.87 132.97 23.87 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.548 0.689 . . . . 0.0 110.914 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.543 ' CG ' HD11 ' A' ' 107' ' ' LEU . 53.8 Cg_endo -69.74 -168.49 0.28 Allowed 'Trans proline' 0 C--N 1.34 0.111 0 C-N-CA 122.68 2.253 . . . . 0.0 112.354 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.406 ' O ' ' NH2' ' A' ' 66' ' ' ARG . . . -132.25 -59.11 0.93 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.136 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 88.0 m -57.77 -42.87 84.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -51.77 -24.92 6.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.822 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.508 ' HB2' HD23 ' A' ' 107' ' ' LEU . 26.7 tp -75.76 129.29 36.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -149.78 149.43 30.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.687 ' O ' HD23 ' A' ' 88' ' ' LEU . 11.2 t-80 -87.14 126.19 34.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.687 HD23 ' O ' ' A' ' 87' ' ' HIS . 7.6 mt -127.66 92.8 3.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 69.07 -170.35 41.3 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.46 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -143.33 170.53 15.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.807 0.337 . . . . 0.0 110.93 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.623 HG21 ' HA ' ' A' ' 142' ' ' VAL . 40.4 t -143.23 105.09 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.627 HG22 HG23 ' A' ' 101' ' ' THR . 90.5 t -118.83 111.86 35.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.092 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.479 ' CD2' ' CE1' ' A' ' 95' ' ' PHE . 27.5 t60 -105.04 147.82 27.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 45.1 m -118.93 114.89 23.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.181 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.479 ' CE1' ' CD2' ' A' ' 93' ' ' HIS . 85.9 m-85 -99.61 -176.49 3.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.49 ' O ' ' CG ' ' A' ' 97' ' ' HIS . 10.9 m -51.42 114.37 1.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.49 ' CG ' ' O ' ' A' ' 96' ' ' SER . 12.4 p-80 43.96 28.26 0.24 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.813 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.463 ' CG2' ' N ' ' A' ' 99' ' ' LYS . 26.8 mt -137.48 156.24 32.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.184 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.463 ' N ' ' CG2' ' A' ' 98' ' ' ILE . 0.0 OUTLIER -137.9 127.03 24.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.835 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.43 ' O ' HG13 ' A' ' 92' ' ' VAL . 1.3 mm? -117.5 142.9 46.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.972 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.627 HG23 HG22 ' A' ' 92' ' ' VAL . 35.0 m -127.76 111.27 13.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.158 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.411 ' CE1' HD12 ' A' ' 100' ' ' LEU . 68.2 m-85 -112.15 137.05 50.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -100.31 120.28 39.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.698 HG21 HG11 ' A' ' 145' ' ' VAL . 59.1 t -73.81 127.41 35.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.134 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -136.88 137.6 39.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -113.71 148.69 18.69 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.508 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.543 HD11 ' CG ' ' A' ' 81' ' ' PRO . 0.4 OUTLIER -162.44 106.51 1.15 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.776 0.322 . . . . 0.0 110.888 -179.879 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -124.23 140.86 52.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.078 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 85.3 mt -84.98 104.82 15.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.972 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 179.928 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.153 0 CA-C-O 120.824 0.26 . . . . 0.0 112.34 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.707 HG21 ' HB1' ' A' ' 77' ' ' ALA . 5.9 p -103.86 -41.81 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 115' ' ' VAL . 22.7 p 34.2 45.38 0.12 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 85.3 m -160.89 122.35 2.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.075 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.55 HG22 ' HB3' ' A' ' 122' ' ' ALA . 6.3 p -165.57 135.83 2.88 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.58 0.705 . . . . 0.0 111.131 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.463 ' HD2' ' CG2' ' A' ' 118' ' ' VAL . 53.6 Cg_endo -69.77 168.5 21.4 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.685 2.257 . . . . 0.0 112.325 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 -0.28 6.67 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.701 2.267 . . . . 0.0 112.294 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -100.43 -5.22 54.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.53 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.55 ' HB3' HG22 ' A' ' 118' ' ' VAL . . . -126.19 150.33 48.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.728 0.299 . . . . 0.0 111.096 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -132.18 153.18 50.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.829 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' TRP . . . . . 0.454 ' CZ3' ' HG2' ' A' ' 28' ' ' GLN . 31.6 m95 -111.47 100.56 9.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.458 HD21 ' CD2' ' A' ' 38' ' ' LEU . 2.6 pp -115.4 170.06 8.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . 0.491 HG22 ' CG ' ' A' ' 35' ' ' GLN . 4.5 p -87.15 167.39 14.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.149 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -52.04 -41.2 62.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -67.6 -50.94 55.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.946 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -52.93 -37.37 60.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.685 ' CE1' ' CZ ' ' A' ' 53' ' ' PHE . 4.0 t80 -55.25 -56.2 22.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -51.35 -45.01 62.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.805 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 20.4 p -75.04 -7.43 53.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 130' ' ' PHE . . . -80.89 176.26 9.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.016 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.479 ' HB1' HD12 ' A' ' 50' ' ' LEU . . . -94.73 95.79 8.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.761 HG12 ' HB2' ' A' ' 139' ' ' MET . 0.5 OUTLIER -125.73 157.79 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.159 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 139' ' ' MET . 2.5 m -83.78 141.7 31.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.647 HG22 ' HE3' ' A' ' 141' ' ' LYS . 97.0 m -33.4 -69.26 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.188 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.731 ' O ' HG23 ' A' ' 142' ' ' VAL . . . -40.31 -40.62 1.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' MET . . . . . 0.761 ' HB2' HG12 ' A' ' 135' ' ' VAL . 20.6 mmm -72.19 -39.91 68.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.838 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 137' ' ' THR . 3.0 mtpm? -66.11 -22.22 66.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.952 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.647 ' HE3' HG22 ' A' ' 137' ' ' THR . 8.6 ptpt -96.11 -10.18 28.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 138' ' ' ALA . 8.8 t -76.94 -25.59 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.505 ' CZ ' ' HG3' ' A' ' 147' ' ' GLN . 83.4 t80 -77.73 -57.19 3.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.45 ' CD ' ' HA ' ' A' ' 141' ' ' LYS . 6.9 ptm180 -46.95 -26.87 1.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.698 HG11 HG21 ' A' ' 104' ' ' VAL . 96.5 t -80.23 -36.6 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . 0.561 ' CE2' ' OE1' ' A' ' 147' ' ' GLN . 2.2 t80 -69.43 -32.36 71.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . 0.561 ' OE1' ' CE2' ' A' ' 146' ' ' TYR . 12.3 mm100 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.233 0.235 0 CA-C-O 120.778 0.241 . . . . 0.0 112.266 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.4 mtt180 -38.13 -59.25 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -97.02 100.21 11.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -139.31 113.48 8.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.942 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.3 m -114.87 147.3 40.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.811 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 24.4 m -155.25 153.12 30.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.853 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -117.64 109.38 16.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.088 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.5 t -102.91 139.62 38.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.164 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.471 ' SG ' ' N ' ' A' ' 25' ' ' VAL . 1.4 t -118.44 159.34 23.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.471 ' N ' ' SG ' ' A' ' 24' ' ' CYS . 69.5 t -113.55 87.74 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 27.6 tp -73.12 122.55 22.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -126.27 154.06 43.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.929 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -138.63 150.7 66.89 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.628 0.728 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 121.32 8.01 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.676 2.25 . . . . 0.0 112.312 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -114.85 147.37 18.89 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.538 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -45.87 -66.85 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.805 0.336 . . . . 0.0 111.053 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.7 mt -60.51 -39.88 89.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.958 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -167.79 -104.59 0.18 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.457 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -160.39 147.53 15.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.69 0.281 . . . . 0.0 111.174 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -132.71 158.54 42.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.426 HD12 ' CE1' ' A' ' 53' ' ' PHE . 3.6 pt -113.96 175.11 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.544 HD13 ' NE1' ' A' ' 124' ' ' TRP . 21.0 tp -101.62 149.85 23.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.966 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.694 HD22 HD21 ' A' ' 125' ' ' LEU . 10.4 tp -145.42 121.82 10.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.9 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.4 m -106.63 145.02 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.179 179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.483 ' HB2' ' CZ3' ' A' ' 51' ' ' TRP . 52.4 tt0 -100.41 158.27 16.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 49.3 mtt-85 . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 121.619 0.723 . . . . 0.0 110.891 -179.894 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.5 mm? . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.834 0.35 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.832 ' O ' HG13 ' A' ' 135' ' ' VAL . 97.6 m95 -98.21 131.22 44.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.427 ' CB ' ' HG3' ' A' ' 139' ' ' MET . 1.2 pm0 -158.65 148.23 19.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.601 ' CZ ' ' CE2' ' A' ' 130' ' ' PHE . 5.5 m-85 -51.05 151.23 4.79 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.689 0.757 . . . . 0.0 110.838 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.414 ' HG2' HD21 ' A' ' 73' ' ' LEU . 53.7 Cg_endo -69.81 143.95 52.25 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.764 2.309 . . . . 0.0 112.306 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 75.8 p -146.52 168.5 21.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.48 HG12 ' CB ' ' A' ' 72' ' ' GLU . 5.2 m -133.45 173.49 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.044 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.5 p -55.88 143.5 31.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.196 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.498 ' CH2' ' HA ' ' A' ' 60' ' ' PRO . 80.1 t90 -60.51 164.07 4.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.954 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.445 ' N ' ' CG ' ' A' ' 58' ' ' TRP . 38.0 mm-40 -143.5 134.65 12.58 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.596 0.712 . . . . 0.0 110.895 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.498 ' HA ' ' CH2' ' A' ' 58' ' ' TRP . 54.0 Cg_endo -69.67 -21.84 33.33 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.643 2.229 . . . . 0.0 112.405 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.6 t -106.49 156.54 18.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -71.71 -36.6 70.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -73.36 -51.63 16.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.849 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.1 mp -51.05 -36.25 38.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.431 ' NE2' ' HA ' ' A' ' 65' ' ' GLN . 6.4 tp60 -62.05 -57.7 10.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.917 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -59.96 -49.19 78.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.3 mtmp? -42.82 -67.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.507 ' O ' ' N ' ' A' ' 70' ' ' LEU . . . -61.61 -55.28 32.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.864 HD23 HD21 ' A' ' 85' ' ' LEU . 20.1 tp -34.84 -31.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.755 HD22 ' HB3' ' A' ' 80' ' ' LEU . 90.7 mt -90.47 -43.41 10.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 68' ' ' ALA . 5.6 pt20 -46.85 -26.54 1.0 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.48 ' CB ' HG12 ' A' ' 56' ' ' VAL . 6.6 tp10 -91.57 -46.51 7.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.414 HD21 ' HG2' ' A' ' 54' ' ' PRO . 11.6 mt -50.51 -48.88 56.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -52.19 -43.5 64.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.969 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -51.91 -32.75 33.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.446 ' O ' ' CD ' ' A' ' 119' ' ' PRO . 81.0 m95 -88.7 -67.21 0.85 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.956 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.459 ' HA ' HG21 ' A' ' 115' ' ' VAL . . . -79.19 -72.78 0.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.049 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 150.08 -100.16 0.2 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.469 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.549 ' O ' HD22 ' A' ' 80' ' ' LEU . 53.7 Cg_endo -69.79 112.6 3.13 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.684 2.256 . . . . 0.0 112.313 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.755 ' HB3' HD22 ' A' ' 70' ' ' LEU . 4.4 mm? -126.28 124.08 24.38 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.643 0.735 . . . . 0.0 110.898 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.921 ' HG2' HD21 ' A' ' 107' ' ' LEU . 54.1 Cg_endo -69.71 168.75 20.6 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.622 2.215 . . . . 0.0 112.338 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -113.69 -52.21 2.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.687 HG23 ' HD2' ' A' ' 84' ' ' HIS . 0.8 OUTLIER -68.25 -32.35 72.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 -179.905 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.687 ' HD2' HG23 ' A' ' 83' ' ' THR . 17.5 m170 -60.9 -36.22 78.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.864 HD21 HD23 ' A' ' 69' ' ' LEU . 21.7 tp -59.77 153.18 21.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 28.1 ptt-85 -167.31 157.79 11.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.84 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -93.4 117.33 29.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.823 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 16.7 mt -122.2 91.89 3.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.72 -175.91 21.46 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.477 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -149.47 169.35 21.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.859 0.361 . . . . 0.0 110.916 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.456 HG23 ' CG2' ' A' ' 104' ' ' VAL . 87.0 t -141.69 107.87 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.122 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.677 HG22 HG23 ' A' ' 101' ' ' THR . 27.5 t -113.66 107.08 22.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.145 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.686 ' CD2' ' CE1' ' A' ' 95' ' ' PHE . 9.7 t60 -101.61 157.27 16.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.834 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.576 ' N ' ' CD2' ' A' ' 93' ' ' HIS . 19.3 m -126.84 123.89 38.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.188 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.686 ' CE1' ' CD2' ' A' ' 93' ' ' HIS . 29.1 m-85 -107.73 -179.85 4.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.539 ' O ' ' N ' ' A' ' 98' ' ' ILE . 5.6 m -48.25 125.38 9.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.587 ' O ' ' CG ' ' A' ' 97' ' ' HIS . 0.7 OUTLIER 34.62 30.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.851 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.539 ' N ' ' O ' ' A' ' 96' ' ' SER . 52.3 mt -146.0 157.62 12.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.155 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.491 ' N ' HG22 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -139.78 130.69 26.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.825 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.474 ' N ' ' HD2' ' A' ' 99' ' ' LYS . 3.6 mm? -115.58 152.73 32.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.95 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.677 HG23 HG22 ' A' ' 92' ' ' VAL . 96.0 m -135.38 111.4 9.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.128 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -110.09 134.39 52.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 51.5 mm-40 -102.32 115.71 31.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.925 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.789 HG22 HG13 ' A' ' 142' ' ' VAL . 51.8 t -71.72 127.04 33.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.068 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -139.18 121.61 16.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -97.17 140.74 15.22 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.47 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.921 HD21 ' HG2' ' A' ' 81' ' ' PRO . 2.1 tm? -155.09 119.3 4.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.797 0.332 . . . . 0.0 110.925 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.578 ' N ' HD13 ' A' ' 107' ' ' LEU . . . -126.05 156.7 39.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 26.1 mt -91.44 128.37 37.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 179.932 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.464 -0.209 0 CA-C-O 120.832 0.263 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.801 HG11 ' CZ2' ' A' ' 124' ' ' TRP . 7.2 p -120.39 44.93 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.177 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.407 ' H ' HG22 ' A' ' 116' ' ' THR . 0.1 OUTLIER -59.64 -4.52 0.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.176 -179.926 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.419 ' H ' ' C ' ' A' ' 115' ' ' VAL . 6.9 m -110.65 109.01 19.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.632 ' CG2' ' HB3' ' A' ' 122' ' ' ALA . 13.1 p -124.75 136.71 28.3 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.677 0.751 . . . . 0.0 111.155 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.494 ' HD2' HG23 ' A' ' 118' ' ' VAL . 53.8 Cg_endo -69.75 167.43 24.44 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.705 2.27 . . . . 0.0 112.292 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 108.44 2.07 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.669 2.246 . . . . 0.0 112.341 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 134.26 -13.41 4.62 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.561 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.632 ' HB3' ' CG2' ' A' ' 118' ' ' VAL . . . -110.52 152.59 26.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.709 0.29 . . . . 0.0 111.174 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 11.6 ttm-85 -134.68 149.75 50.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.826 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' TRP . . . . . 0.801 ' CZ2' HG11 ' A' ' 115' ' ' VAL . 45.0 m95 -119.0 108.33 14.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.694 HD21 HD22 ' A' ' 38' ' ' LEU . 1.6 pp -121.97 169.84 10.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 10.7 p -82.37 167.94 18.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -63.22 -34.86 78.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -75.71 -18.27 59.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -81.36 -49.1 11.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.847 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.601 ' CE2' ' CZ ' ' A' ' 53' ' ' PHE . 15.0 t80 -46.28 -40.21 11.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.825 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -58.74 -41.42 86.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 28.7 p -84.74 -18.07 36.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.079 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -67.24 170.29 7.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.081 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -92.68 97.03 10.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.091 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.832 HG13 ' O ' ' A' ' 51' ' ' TRP . 1.1 t -123.09 154.74 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 137' ' ' THR . 27.2 t -78.09 138.36 38.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.79 HG22 ' HD2' ' A' ' 141' ' ' LYS . 32.2 m -34.4 -69.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.148 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 137' ' ' THR . . . -35.21 -47.59 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.092 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' MET . . . . . 0.539 ' HB2' HG12 ' A' ' 135' ' ' VAL . 34.4 mmm -67.61 -48.31 67.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 11.7 mtpt -56.53 -17.56 8.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.79 ' HD2' HG22 ' A' ' 137' ' ' THR . 5.8 mtpm? -91.03 -18.54 24.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.789 HG13 HG22 ' A' ' 104' ' ' VAL . 71.2 t -76.73 -44.43 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.147 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.417 ' CZ ' ' CD ' ' A' ' 147' ' ' GLN . 37.5 t80 -56.38 -55.14 37.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -53.18 -35.72 60.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 141' ' ' LYS . 75.4 t -72.64 -27.78 26.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.196 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -78.68 -46.41 19.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.918 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . 0.417 ' CD ' ' CZ ' ' A' ' 143' ' ' PHE . 20.7 mt-30 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.146 0 CA-C-O 120.778 0.241 . . . . 0.0 112.286 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 16' ' ' PRO . 18.4 mtm180 -37.85 -37.82 0.26 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -107.3 100.19 9.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -143.59 113.62 7.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.4 m -124.93 138.41 54.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.808 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.0 m -155.75 156.43 34.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -122.88 108.05 12.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.068 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.484 ' CG2' HG11 ' A' ' 142' ' ' VAL . 14.5 t -96.31 149.19 21.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.463 ' HB2' HD21 ' A' ' 69' ' ' LEU . 3.9 t -124.8 151.2 45.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.492 HG11 ' CD2' ' A' ' 146' ' ' TYR . 93.4 t -101.71 113.42 37.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.603 HD23 HD22 ' A' ' 37' ' ' LEU . 61.0 tp -98.43 104.03 16.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -116.7 142.25 47.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.563 ' HG2' HD12 ' A' ' 109' ' ' LEU . 81.0 mt-30 -130.18 147.77 67.07 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.611 0.72 . . . . 0.0 110.954 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 121.37 8.06 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.685 2.256 . . . . 0.0 112.319 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -114.84 170.34 13.22 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.458 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.84 -52.14 66.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.842 0.353 . . . . 0.0 111.14 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 84.8 mt -68.96 -42.76 76.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.1 -94.38 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -148.09 163.29 37.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.694 0.283 . . . . 0.0 111.148 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.561 ' HG3' HG22 ' A' ' 126' ' ' THR . 1.1 mp0 -151.51 138.36 18.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.481 HD11 ' HA ' ' A' ' 127' ' ' GLN . 1.7 pt -100.7 175.67 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.122 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.603 HD22 HD23 ' A' ' 26' ' ' LEU . 27.9 tp -108.74 142.73 38.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.485 ' CD2' ' HB3' ' A' ' 51' ' ' TRP . 8.3 tp -136.14 137.88 41.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.413 HG12 ' HB2' ' A' ' 122' ' ' ALA . 27.7 m -131.09 139.49 50.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.144 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -70.48 156.22 39.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 121.661 0.743 . . . . 0.0 110.83 -179.878 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.508 HD12 ' HB1' ' A' ' 134' ' ' ALA . 2.5 mm? . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.791 0.329 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.485 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 57.9 m95 -75.79 108.65 8.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -132.82 160.4 37.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.701 ' CZ ' ' CE2' ' A' ' 130' ' ' PHE . 25.1 m-85 -67.04 145.5 98.87 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.573 0.701 . . . . 0.0 110.965 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 139.66 40.73 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.625 2.216 . . . . 0.0 112.377 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 65.2 p -146.69 172.04 14.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.455 HG12 ' HB2' ' A' ' 72' ' ' GLU . 9.8 m -129.33 178.66 4.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.5 t -65.09 145.8 55.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 76.6 t90 -56.26 153.88 8.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.974 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -138.22 130.6 16.17 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.613 0.721 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -27.48 26.26 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.59 2.193 . . . . 0.0 112.355 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.6 m -94.06 150.28 20.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -68.86 -35.46 76.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -77.95 -57.42 3.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.964 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.8 mp -41.07 -42.46 1.97 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.95 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.452 ' NE2' ' HA ' ' A' ' 65' ' ' GLN . 0.0 OUTLIER -56.92 -54.0 51.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.893 179.919 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.452 ' NH2' ' O ' ' A' ' 85' ' ' LEU . 60.7 mtp180 -67.1 -32.25 73.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 56.6 mttt -58.2 -55.58 33.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 71' ' ' GLN . . . -74.0 -48.35 30.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.12 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.823 HD23 HD21 ' A' ' 85' ' ' LEU . 53.2 tp -33.71 -36.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 68' ' ' ALA . 94.8 mt -85.65 -44.35 12.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.846 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 68' ' ' ALA . 0.1 OUTLIER -40.96 -31.36 0.17 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.455 ' HB2' HG12 ' A' ' 56' ' ' VAL . 13.3 tt0 -85.42 -54.38 4.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.82 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.9 mt -42.79 -52.61 4.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -49.66 -43.17 46.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 53.2 mtp85 -55.43 -27.5 48.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 89.2 m95 -90.6 -69.09 0.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -79.21 -73.46 0.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.106 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 156.62 -106.69 0.3 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.464 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.727 ' O ' HD22 ' A' ' 80' ' ' LEU . 53.6 Cg_endo -69.79 115.47 4.11 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.62 2.213 . . . . 0.0 112.372 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.727 HD22 ' O ' ' A' ' 79' ' ' PRO . 3.9 mm? -128.2 127.67 23.75 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.635 0.731 . . . . 0.0 110.871 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.439 ' HG2' HD21 ' A' ' 107' ' ' LEU . 53.8 Cg_endo -69.7 -172.92 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.674 2.25 . . . . 0.0 112.384 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -131.47 -56.02 1.02 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.057 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 40.0 p -59.17 -23.38 62.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 4.2 m170 -72.59 -40.32 66.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.846 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.823 HD21 HD23 ' A' ' 69' ' ' LEU . 56.4 tp -57.64 128.49 37.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.962 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 46.7 mtt85 -145.55 128.14 16.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.471 ' HB2' ' CE1' ' A' ' 105' ' ' TYR . 18.0 t-80 -70.14 122.07 18.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.411 ' O ' HG12 ' A' ' 145' ' ' VAL . 30.5 mt -121.96 94.25 4.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.946 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.444 ' O ' ' NE2' ' A' ' 87' ' ' HIS . . . 69.27 -172.8 37.27 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.516 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -144.58 171.1 14.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.865 0.364 . . . . 0.0 110.901 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.84 HG21 ' HA ' ' A' ' 142' ' ' VAL . 52.2 t -143.34 109.24 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.138 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 44.5 t -120.79 108.93 23.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 63.3 t60 -101.17 115.13 29.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.444 HG22 ' HG3' ' A' ' 99' ' ' LYS . 2.1 p -87.3 109.82 19.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.551 ' CD2' HD23 ' A' ' 100' ' ' LEU . 80.2 m-85 -82.1 175.41 10.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 18.8 m -44.53 -75.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.401 ' C ' HG13 ' A' ' 98' ' ' ILE . 4.6 p-80 -113.59 24.82 11.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.401 HG13 ' C ' ' A' ' 97' ' ' HIS . 18.2 mt -139.58 150.61 22.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.161 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.444 ' HG3' HG22 ' A' ' 94' ' ' THR . 1.0 OUTLIER -124.93 117.9 25.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.917 179.834 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.551 HD23 ' CD2' ' A' ' 95' ' ' PHE . 3.8 mm? -108.8 140.49 42.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 27.7 m -130.08 107.43 9.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.089 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -106.45 133.96 50.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -100.58 118.19 36.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.641 HG22 HG13 ' A' ' 142' ' ' VAL . 58.0 t -75.24 121.79 27.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.124 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.618 ' HB3' HD11 ' A' ' 85' ' ' LEU . 19.2 m-85 -132.17 106.75 8.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.448 ' O ' HD12 ' A' ' 85' ' ' LEU . . . -79.53 146.76 29.04 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.483 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.521 ' C ' HD13 ' A' ' 107' ' ' LEU . 2.2 tm? -166.05 115.67 0.98 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.789 0.328 . . . . 0.0 110.889 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.421 ' N ' HD13 ' A' ' 107' ' ' LEU . . . -136.92 155.39 49.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.563 HD12 ' HG2' ' A' ' 28' ' ' GLN . 84.9 mt -92.42 101.58 14.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.913 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 179.937 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.232 0.196 0 CA-C-O 120.818 0.258 . . . . 0.0 112.342 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.763 HG22 HG22 ' A' ' 117' ' ' THR . 5.5 p -98.56 -42.63 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.081 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.41 ' N ' HG13 ' A' ' 115' ' ' VAL . 29.4 p 39.36 41.43 0.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.106 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.763 HG22 HG22 ' A' ' 115' ' ' VAL . 9.7 t -165.47 155.22 12.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.601 ' CG2' ' HB3' ' A' ' 122' ' ' ALA . 13.5 p -175.71 135.99 0.49 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.577 0.703 . . . . 0.0 111.169 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.461 ' HD2' HG23 ' A' ' 118' ' ' VAL . 53.6 Cg_endo -69.68 170.06 17.35 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.702 2.268 . . . . 0.0 112.395 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 1.92 4.0 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.719 2.28 . . . . 0.0 112.33 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -114.06 14.97 21.23 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.449 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.601 ' HB3' ' CG2' ' A' ' 118' ' ' VAL . . . -142.95 147.26 34.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.742 0.306 . . . . 0.0 111.074 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.451 ' NH2' ' CG ' ' A' ' 51' ' ' TRP . 15.0 ptt180 -136.57 149.28 48.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 36.5 m95 -109.51 113.12 25.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.409 HD21 HD22 ' A' ' 38' ' ' LEU . 1.5 pp -130.95 169.98 15.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.991 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . 0.561 HG22 ' HG3' ' A' ' 35' ' ' GLN . 26.1 p -80.3 159.66 25.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.135 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.481 ' HA ' HD11 ' A' ' 36' ' ' ILE . 18.5 mt-30 -54.5 -37.6 65.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -68.02 -50.41 55.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -53.59 -36.62 62.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.701 ' CE2' ' CZ ' ' A' ' 53' ' ' PHE . 6.6 t80 -62.28 -53.9 48.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -40.06 -48.13 2.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.838 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 72.9 p -74.31 -37.49 63.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.12 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.62 ' O ' HG23 ' A' ' 135' ' ' VAL . . . -47.65 145.6 2.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.136 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.508 ' HB1' HD12 ' A' ' 50' ' ' LEU . . . -65.75 100.62 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.004 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.694 HG12 ' HB2' ' A' ' 139' ' ' MET . 1.7 t -136.41 152.15 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.168 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 22.7 t -64.77 161.28 18.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.804 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 52.2 m -53.65 -55.92 21.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.111 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.474 ' O ' HG23 ' A' ' 142' ' ' VAL . . . -50.68 -63.75 1.03 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' MET . . . . . 0.694 ' HB2' HG12 ' A' ' 135' ' ' VAL . 29.5 mmm -46.54 -36.51 6.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -71.82 -44.1 64.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.476 ' O ' HG23 ' A' ' 145' ' ' VAL . 3.3 ptmm? -81.02 -9.56 59.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.84 ' HA ' HG21 ' A' ' 91' ' ' VAL . 5.1 t -77.56 -23.84 14.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.505 ' O ' ' N ' ' A' ' 146' ' ' TYR . 66.3 t80 -76.36 -66.28 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 143' ' ' PHE . 5.6 ptm180 -38.27 -28.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 141' ' ' LYS . 99.4 t -76.68 -42.38 34.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . 0.505 ' N ' ' O ' ' A' ' 143' ' ' PHE . 1.6 t80 -58.98 -54.86 42.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . 0.437 ' NE2' ' OE1' ' A' ' 127' ' ' GLN . 33.2 mm-40 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -58.98 102.29 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.859 0.362 . . . . 0.0 110.881 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.4 t -82.43 158.71 23.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.794 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.27 168.07 42.62 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.448 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.0 m -108.89 152.24 25.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.885 0.374 . . . . 0.0 110.843 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.2 m -114.59 129.31 56.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.79 70.69 1.04 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.434 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.77 1.51 4.38 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.686 2.257 . . . . 0.0 112.385 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -55.81 -49.74 72.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 11' ' ' ALA . 23.5 pttt -54.34 179.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 10' ' ' LYS . . . -35.58 125.35 0.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.0 m -55.74 107.04 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -130.47 -51.47 1.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.816 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 50.7 mmtt -103.81 150.92 38.69 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.599 0.714 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 161.04 47.45 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.653 2.236 . . . . 0.0 112.33 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.474 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.7 Cg_endo -69.81 -19.15 36.26 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.682 2.255 . . . . 0.0 112.381 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.474 ' C ' ' O ' ' A' ' 16' ' ' PRO . 61.8 mtt180 -32.15 -53.98 0.3 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.831 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -97.14 100.24 11.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -139.82 113.47 8.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.4 m -121.73 140.4 52.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.801 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.1 m -150.45 153.12 35.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.893 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.504 ' CB ' ' CD ' ' A' ' 65' ' ' GLN . . . -118.03 105.06 11.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.9 t -97.56 148.61 23.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.639 ' HB2' HD11 ' A' ' 69' ' ' LEU . 52.8 t -129.06 153.81 47.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.585 HG11 ' CE2' ' A' ' 146' ' ' TYR . 48.6 t -109.39 115.4 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.116 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 30.1 tp -98.85 127.64 44.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.522 ' HB2' HG22 ' A' ' 36' ' ' ILE . 19.8 tt0 -134.55 148.77 50.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.501 ' HG2' ' CZ3' ' A' ' 124' ' ' TRP . 7.9 pt20 -142.86 148.04 44.21 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.662 0.744 . . . . 0.0 110.854 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 139.43 40.1 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.792 2.328 . . . . 0.0 112.319 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -144.72 175.77 24.21 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.451 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -43.83 -59.67 2.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.821 0.343 . . . . 0.0 111.138 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 24.8 mt -56.58 -49.23 75.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.72 -64.97 0.14 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -170.04 125.02 0.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.806 0.336 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.08 146.97 44.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.522 HG22 ' HB2' ' A' ' 27' ' ' GLU . 5.3 pt -98.82 174.37 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.554 HD11 ' HB1' ' A' ' 122' ' ' ALA . 6.9 tp -107.59 148.45 29.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.8 HD22 HD21 ' A' ' 125' ' ' LEU . 10.5 tp -143.16 120.84 11.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.6 m -108.45 152.23 10.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -114.95 143.98 44.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -87.57 143.28 33.73 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.639 0.733 . . . . 0.0 110.834 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -19.24 36.29 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.352 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.558 ' C ' ' HB1' ' A' ' 48' ' ' ALA . 11.7 m120 -43.57 153.52 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.86 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.434 ' N ' ' HB1' ' A' ' 48' ' ' ALA . 9.1 p -133.51 134.34 43.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.838 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.517 ' N ' ' HB3' ' A' ' 48' ' ' ALA . . . 115.93 -145.38 18.68 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.522 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 48' ' ' ALA . 15.3 mt -55.31 134.78 50.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.924 0.392 . . . . 0.0 110.887 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 18.5 mt 39.26 28.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.939 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.558 ' HB1' ' C ' ' A' ' 43' ' ' ASN . . . -114.44 146.92 40.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.37 44.42 59.09 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.496 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -116.98 164.85 14.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.793 0.33 . . . . 0.0 110.946 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.539 ' O ' HG13 ' A' ' 135' ' ' VAL . 87.6 m95 -96.63 134.28 40.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.453 ' HA ' HD11 ' A' ' 38' ' ' LEU . 4.5 pt-20 -170.45 154.6 4.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.932 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.557 ' CZ ' ' CE1' ' A' ' 130' ' ' PHE . 7.7 m-85 -55.32 150.95 20.51 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.641 0.734 . . . . 0.0 110.841 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 144.12 52.87 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.717 2.278 . . . . 0.0 112.288 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.1 p -145.49 169.03 19.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.449 ' CG2' HE22 ' A' ' 65' ' ' GLN . 4.8 m -135.94 170.13 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.4 t -54.82 158.41 2.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 85.3 t90 -79.26 140.13 37.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.406 ' HB2' ' CA ' ' A' ' 65' ' ' GLN . 8.5 mm-40 -122.14 138.57 29.09 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.672 0.748 . . . . 0.0 110.849 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 -34.02 15.74 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.667 2.245 . . . . 0.0 112.339 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.8 t -89.57 132.87 34.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.89 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -57.9 -16.63 12.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.958 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -92.54 -49.48 6.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.5 mp -53.9 -37.15 63.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.504 ' CD ' ' CB ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -62.82 -57.17 11.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 -58.74 -45.32 89.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -51.32 -67.03 0.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.88 -38.22 84.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.071 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.639 HD11 ' HB2' ' A' ' 24' ' ' CYS . 24.5 tp -48.94 -41.09 32.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 71' ' ' GLN . 78.3 mt -74.22 -47.91 32.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 70' ' ' LEU . 10.3 mt-30 -36.49 -53.92 0.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.421 ' HB2' HG12 ' A' ' 56' ' ' VAL . 17.8 tp10 -57.93 -55.8 30.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 18.7 mt -45.95 -48.95 16.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -53.5 -41.92 66.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.974 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -50.72 -33.75 24.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.445 ' CE3' ' HB2' ' A' ' 122' ' ' ALA . 72.0 m95 -87.24 -71.57 0.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.943 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.98 -70.99 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.045 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 145.5 -99.43 0.21 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.48 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.426 ' C ' HD22 ' A' ' 80' ' ' LEU . 53.9 Cg_endo -69.69 108.76 2.14 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.722 2.281 . . . . 0.0 112.374 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.426 HD22 ' C ' ' A' ' 79' ' ' PRO . 4.5 mm? -121.52 134.55 24.59 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.576 0.703 . . . . 0.0 110.96 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.787 ' HG2' HD21 ' A' ' 107' ' ' LEU . 54.0 Cg_endo -69.75 -179.82 3.17 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.715 2.276 . . . . 0.0 112.316 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -125.94 -54.09 1.52 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.003 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 56.1 m -64.58 -31.23 72.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.182 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -64.48 -20.97 66.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.531 HD21 HD23 ' A' ' 69' ' ' LEU . 33.4 tp -73.59 133.24 43.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 -152.71 133.93 14.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.588 ' C ' HD23 ' A' ' 88' ' ' LEU . 6.3 t-80 -73.9 125.7 28.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.588 HD23 ' C ' ' A' ' 87' ' ' HIS . 1.9 mt -123.59 94.13 4.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 62.21 -169.09 14.48 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.547 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -147.71 170.36 17.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.912 0.387 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 32.0 t -139.34 108.7 3.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.174 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.467 HG22 ' HA ' ' A' ' 101' ' ' THR . 42.9 t -118.86 108.79 24.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.073 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 43.5 t60 -99.17 129.57 45.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.36 112.7 24.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.185 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -84.72 -175.07 5.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.4 m -50.98 -64.49 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.85 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.517 ' O ' ' CG ' ' A' ' 97' ' ' HIS . 0.4 OUTLIER -128.17 31.35 5.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.808 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.526 ' CG2' ' N ' ' A' ' 99' ' ' LYS . 18.7 mt -138.99 159.39 29.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.153 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.526 ' N ' ' CG2' ' A' ' 98' ' ' ILE . 2.2 tmtt? -135.12 118.37 16.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -110.03 143.21 40.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.467 ' HA ' HG22 ' A' ' 92' ' ' VAL . 21.8 m -127.92 100.69 6.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.133 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -100.86 131.97 46.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.905 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -98.9 112.62 24.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.932 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.601 HG22 HG13 ' A' ' 142' ' ' VAL . 47.9 t -70.66 127.63 32.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.188 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.442 ' CE1' ' HB2' ' A' ' 87' ' ' HIS . 14.8 m-85 -134.35 135.83 42.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -112.23 137.07 14.0 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.452 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.787 HD21 ' HG2' ' A' ' 81' ' ' PRO . 1.8 tm? -152.0 114.25 4.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.875 0.369 . . . . 0.0 110.942 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.493 ' N ' HD13 ' A' ' 107' ' ' LEU . . . -133.5 151.93 51.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.035 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.584 HD22 ' HB2' ' A' ' 112' ' ' GLN . 43.7 mt -93.54 103.41 15.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.958 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -50.46 -58.13 6.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.83 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -155.95 24.23 0.55 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.479 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.584 ' HB2' HD22 ' A' ' 109' ' ' LEU . 7.3 mm-40 -76.85 -179.92 5.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.928 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 77.8 p -72.82 142.93 83.86 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.622 0.725 . . . . 0.0 111.125 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -173.79 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.67 2.246 . . . . 0.0 112.333 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.3 p -109.26 -36.82 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.9 p 40.5 31.91 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.095 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 95.8 m -155.43 143.16 19.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.115 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.591 HG22 ' HB3' ' A' ' 122' ' ' ALA . 6.1 p -171.88 136.2 0.92 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.655 0.74 . . . . 0.0 111.118 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 118' ' ' VAL . 53.7 Cg_endo -69.81 169.89 17.92 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.722 2.282 . . . . 0.0 112.354 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 1.24 4.58 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.67 2.247 . . . . 0.0 112.35 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -107.77 1.07 34.03 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.499 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.591 ' HB3' HG22 ' A' ' 118' ' ' VAL . . . -133.53 138.79 46.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.78 0.324 . . . . 0.0 111.093 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.429 ' NH1' ' HB2' ' A' ' 123' ' ' ARG . 0.5 OUTLIER -126.56 141.12 51.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.826 -179.917 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' TRP . . . . . 0.501 ' CZ3' ' HG2' ' A' ' 28' ' ' GLN . 46.1 m95 -99.05 106.27 18.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.8 HD21 HD22 ' A' ' 38' ' ' LEU . 2.5 pp -117.35 169.9 9.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 5.8 p -87.44 -179.44 6.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -66.49 -43.69 84.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -73.5 -22.77 60.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -77.38 -34.24 54.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.659 ' O ' ' HB3' ' A' ' 133' ' ' ALA . 13.2 t80 -61.29 -55.21 34.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -44.05 -61.49 1.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.851 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 71.4 p -56.5 -19.07 13.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.106 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.659 ' HB3' ' O ' ' A' ' 130' ' ' PHE . . . -72.67 142.53 48.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.144 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.89 99.04 0.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.046 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.683 HG12 ' HB2' ' A' ' 139' ' ' MET . 1.1 t -126.81 140.92 47.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.184 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 137' ' ' THR . 3.5 p -68.3 140.1 55.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.489 HG22 ' HD2' ' A' ' 141' ' ' LYS . 44.1 m -34.9 -60.38 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.091 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 137' ' ' THR . . . -36.02 -58.65 0.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' MET . . . . . 0.683 ' HB2' HG12 ' A' ' 135' ' ' VAL . 44.1 mmm -61.25 -52.87 62.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -49.02 -23.07 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.81 ' O ' HG23 ' A' ' 145' ' ' VAL . 21.6 mtpp -84.14 -33.79 24.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.834 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.601 HG13 HG22 ' A' ' 104' ' ' VAL . 90.5 t -64.72 -34.12 67.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.145 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.52 ' CE2' ' CD ' ' A' ' 147' ' ' GLN . 85.8 t80 -62.86 -65.65 0.66 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.835 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -44.4 -33.07 1.54 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 141' ' ' LYS . 41.0 t -74.04 -43.34 51.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . 0.585 ' CE2' HG11 ' A' ' 25' ' ' VAL . 3.9 t80 -65.12 -31.34 72.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . 0.52 ' CD ' ' CE2' ' A' ' 143' ' ' PHE . 60.4 mt-30 -61.71 -32.45 72.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -39.18 -83.01 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.547 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -79.5 78.26 6.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 110.932 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 13.1 t -164.41 115.32 1.25 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -154.43 150.65 22.29 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.409 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -28.62 25.11 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.671 2.248 . . . . 0.0 112.329 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 33.9 t -39.94 153.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 68.5 p -46.06 171.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.829 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.519 179.948 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.545 -0.222 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.6 m -152.95 167.84 27.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.861 0.362 . . . . 0.0 110.904 -179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.7 p -49.0 115.93 1.47 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.63 -161.48 35.6 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.449 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -78.11 136.09 37.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.943 0.401 . . . . 0.0 110.787 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.5 t -65.93 139.61 58.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.886 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.551 ' O ' ' HB3' ' A' ' 11' ' ' ALA . . . 147.51 153.32 5.9 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.476 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -47.58 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.695 2.263 . . . . 0.0 112.366 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -84.9 -57.29 3.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -44.01 -45.62 7.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.974 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.551 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . -87.2 -175.53 5.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.096 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 72.0 m -45.47 168.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -71.64 78.92 0.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.0 mmtm -98.51 147.89 33.77 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.604 0.716 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 143.38 50.88 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.67 2.247 . . . . 0.0 112.351 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.7 Cg_endo -69.76 -44.25 2.19 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.731 2.288 . . . . 0.0 112.315 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 16' ' ' PRO . 23.7 mtp180 -34.75 -69.6 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.835 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -79.57 100.22 7.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -145.57 113.36 6.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.435 ' OG ' ' CB ' ' A' ' 58' ' ' TRP . 41.5 p -115.39 151.46 34.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.505 ' OG ' ' CE1' ' A' ' 102' ' ' TYR . 15.8 p -156.81 155.76 32.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.815 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -125.18 106.27 9.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.464 HG21 HG21 ' A' ' 142' ' ' VAL . 8.9 t -103.56 147.05 27.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.558 ' HB2' HD21 ' A' ' 69' ' ' LEU . 7.9 t -131.6 155.76 46.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 84.3 t -103.46 123.5 57.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.046 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.602 HD13 HD11 ' A' ' 80' ' ' LEU . 34.6 tp -108.91 109.22 20.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.956 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -119.16 145.16 46.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.805 ' HG2' HD12 ' A' ' 109' ' ' LEU . 79.6 mt-30 -138.11 141.41 32.08 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.611 0.719 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 120.41 7.21 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.635 2.223 . . . . 0.0 112.349 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -123.65 165.3 16.47 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.472 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.58 -56.57 2.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.852 0.358 . . . . 0.0 111.075 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.6 mt -57.69 -36.04 71.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 159.75 -71.73 0.23 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.543 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -172.99 139.36 0.83 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.848 0.356 . . . . 0.0 111.088 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -136.34 154.41 50.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.6 pt -104.52 172.48 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.486 HD22 HD23 ' A' ' 26' ' ' LEU . 4.3 tp -107.36 137.16 45.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.567 HD22 HD21 ' A' ' 125' ' ' LEU . 12.0 tp -128.65 121.71 29.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.433 HG11 ' CE2' ' A' ' 76' ' ' TRP . 20.4 m -104.63 137.05 35.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -95.15 149.03 21.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.889 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -69.17 155.1 94.22 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.531 0.681 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 169.68 18.36 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.646 2.231 . . . . 0.0 112.358 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -38.08 -55.13 1.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.4 t -98.64 165.95 11.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.845 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 46' ' ' LEU . . . 114.1 132.6 5.47 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 45' ' ' GLY . 14.6 mt -35.17 132.29 0.38 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.813 0.339 . . . . 0.0 110.976 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 48.4 mt 57.93 50.85 9.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.21 153.66 42.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.45 20.13 76.74 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.496 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -110.79 146.65 36.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.722 0.296 . . . . 0.0 110.995 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.508 ' CZ3' ' HG2' ' A' ' 123' ' ' ARG . 90.7 m95 -91.43 140.97 29.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.893 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -172.01 176.43 3.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.858 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.403 ' CD1' ' CD1' ' A' ' 38' ' ' LEU . 21.5 m-85 -78.73 152.21 77.48 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.572 0.701 . . . . 0.0 110.883 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 142.98 49.5 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 122.653 2.235 . . . . 0.0 112.295 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.7 p -142.85 150.5 39.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.821 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.5 m -117.94 -176.93 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.21 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.9 p -71.53 133.12 45.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.435 ' CB ' ' OG ' ' A' ' 20' ' ' SER . 83.8 t90 -52.25 155.47 1.99 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -141.24 133.61 14.06 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.598 0.713 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -10.6 28.95 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.664 2.243 . . . . 0.0 112.328 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.536 ' CB ' HD22 ' A' ' 64' ' ' LEU . 2.6 t -119.42 128.13 53.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.814 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -51.11 -33.77 27.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -73.19 -53.38 11.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.937 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.536 HD22 ' CB ' ' A' ' 61' ' ' SER . 0.9 OUTLIER -50.59 -32.48 18.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -71.03 -60.05 2.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.952 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.555 ' HB3' HD23 ' A' ' 85' ' ' LEU . 36.5 mtm180 -59.59 -19.36 48.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -75.52 -60.84 2.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.835 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.63 -27.57 63.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.07 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.731 HD23 HD21 ' A' ' 85' ' ' LEU . 14.0 tp -50.13 -56.46 10.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.713 HD22 ' HB3' ' A' ' 80' ' ' LEU . 73.8 mt -60.95 -46.75 89.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.958 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -38.97 -44.28 1.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -73.26 -50.26 23.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.853 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 47.8 mt -49.18 -51.43 32.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -48.66 -38.22 20.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.947 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -57.29 -32.74 66.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.825 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.433 ' CE2' HG11 ' A' ' 39' ' ' VAL . 70.2 m95 -87.29 -69.4 0.69 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.921 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -79.67 -71.18 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.113 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 147.84 -98.51 0.19 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.47 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.426 ' O ' HD22 ' A' ' 80' ' ' LEU . 53.7 Cg_endo -69.75 106.86 1.73 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.754 2.303 . . . . 0.0 112.285 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.713 ' HB3' HD22 ' A' ' 70' ' ' LEU . 4.4 mm? -123.27 120.27 27.27 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.59 0.709 . . . . 0.0 110.866 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.474 ' HG2' HD21 ' A' ' 107' ' ' LEU . 53.9 Cg_endo -69.74 167.5 24.23 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.729 2.286 . . . . 0.0 112.281 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -101.35 -70.06 0.76 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 79.5 p -43.91 -49.94 8.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -43.72 -41.67 4.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.731 HD21 HD23 ' A' ' 69' ' ' LEU . 22.9 tp -59.22 131.21 50.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 32.2 mtm180 -147.66 147.78 30.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -87.37 115.97 25.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.5 mt -117.31 95.73 5.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 61.33 -171.99 7.8 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.486 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -145.43 171.0 15.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.957 0.408 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.427 HG23 ' CG2' ' A' ' 104' ' ' VAL . 47.9 t -141.24 105.25 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.645 HG13 ' O ' ' A' ' 100' ' ' LEU . 97.8 t -120.14 109.33 25.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 57.8 t60 -98.89 121.86 41.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 30.7 m -90.59 111.17 22.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -85.11 -177.25 6.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 53.1 m -49.09 -72.52 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.825 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.495 ' CD2' HG13 ' A' ' 98' ' ' ILE . 18.5 p-80 -117.63 17.89 14.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.816 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.495 HG13 ' CD2' ' A' ' 97' ' ' HIS . 24.6 mt -129.48 152.92 37.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.568 ' HE2' HG11 ' A' ' 92' ' ' VAL . 2.2 tmtt? -133.14 118.16 18.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.645 ' O ' HG13 ' A' ' 92' ' ' VAL . 4.1 mm? -105.88 144.93 31.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.871 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.411 ' HA ' HG22 ' A' ' 92' ' ' VAL . 85.7 m -131.16 104.34 7.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.505 ' CE1' ' OG ' ' A' ' 21' ' ' SER . 65.9 m-85 -106.61 130.24 54.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.957 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -94.01 111.07 22.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.427 ' CG2' HG23 ' A' ' 91' ' ' VAL . 90.2 t -70.37 123.04 23.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.055 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -130.53 138.42 50.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.933 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -109.48 132.75 11.23 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.469 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.576 ' C ' HD13 ' A' ' 107' ' ' LEU . 2.4 tm? -145.61 106.37 4.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.802 0.334 . . . . 0.0 110.947 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -130.34 144.2 51.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.094 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.805 HD12 ' HG2' ' A' ' 28' ' ' GLN . 60.9 mt -85.4 105.25 15.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.933 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -54.42 -66.97 0.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -145.73 71.89 0.34 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -132.84 -175.8 3.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.808 0.337 . . . . 0.0 110.986 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 44.8 p -82.13 143.2 48.67 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.632 0.73 . . . . 0.0 111.101 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 -179.36 2.84 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.686 2.257 . . . . 0.0 112.302 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 6.8 p -97.59 -33.5 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.7 p 38.94 37.12 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.157 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 18.9 m -165.76 154.8 11.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.607 ' CG2' ' HB3' ' A' ' 122' ' ' ALA . 9.2 p -167.46 137.38 2.28 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.674 0.749 . . . . 0.0 111.109 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.568 ' HD2' HG23 ' A' ' 118' ' ' VAL . 54.2 Cg_endo -69.81 166.4 27.77 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.704 2.269 . . . . 0.0 112.362 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.65 100.3 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.73 2.286 . . . . 0.0 112.371 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 142.27 -13.69 2.54 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.47 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.607 ' HB3' ' CG2' ' A' ' 118' ' ' VAL . . . -114.41 155.4 26.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.815 0.341 . . . . 0.0 111.106 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.508 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 1.8 ptp180 -139.4 141.85 37.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.858 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 24.0 m95 -101.85 110.01 21.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.567 HD21 HD22 ' A' ' 38' ' ' LEU . 2.3 pp -124.81 169.71 11.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 11.1 p -84.32 177.01 8.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -66.19 -30.66 71.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -79.19 -48.41 14.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -56.55 -20.77 22.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.809 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.504 ' CE1' HG21 ' A' ' 135' ' ' VAL . 27.5 t80 -72.05 -63.49 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . 0.41 ' C ' ' O ' ' A' ' 130' ' ' PHE . 3.6 m-70 -36.85 -46.82 0.65 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 81.3 p -67.38 -47.81 69.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.126 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.441 ' O ' HG23 ' A' ' 135' ' ' VAL . . . -45.04 155.11 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.096 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -72.68 102.92 3.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.152 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.712 HG12 ' HB2' ' A' ' 139' ' ' MET . 1.1 t -131.02 148.07 33.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.196 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 40.3 t -76.66 152.34 35.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.0 0.429 . . . . 0.0 110.797 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.659 HG22 ' HD2' ' A' ' 141' ' ' LYS . 25.4 m -42.25 -67.77 0.24 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.167 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 137' ' ' THR . . . -37.57 -58.83 0.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' MET . . . . . 0.712 ' HB2' HG12 ' A' ' 135' ' ' VAL . 47.8 mmm -54.09 -56.26 19.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 17.0 mtpt -48.56 -30.62 5.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.968 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.659 ' HD2' HG22 ' A' ' 137' ' ' THR . 17.9 mtpt -77.2 -28.59 53.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.464 HG21 HG21 ' A' ' 23' ' ' THR . 18.7 t -64.89 -15.91 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.464 ' CE2' ' NE2' ' A' ' 147' ' ' GLN . 75.7 t80 -83.94 -53.68 5.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.417 ' NH1' ' HB2' ' A' ' 144' ' ' ARG . 0.4 OUTLIER -60.35 -19.58 56.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.904 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 141' ' ' LYS . 69.9 t -86.05 -27.15 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -76.3 -36.28 58.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . 0.464 ' NE2' ' CE2' ' A' ' 143' ' ' PHE . 40.0 mt-30 -58.89 -31.95 69.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.94 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -40.55 -36.6 1.05 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.509 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -144.41 110.04 5.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.8 0.333 . . . . 0.0 110.933 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 2.8 t -81.05 -62.5 1.65 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.799 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 172.39 -92.01 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.535 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -29.71 23.3 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.68 2.253 . . . . 0.0 112.374 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 6.1 m -142.22 149.26 39.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 9.4 t -111.0 -61.82 1.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.554 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.401 0 N-CA-C 112.55 -0.22 . . . . 0.0 112.55 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.6 m -50.72 96.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.921 0.391 . . . . 0.0 110.869 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.8 p -101.73 145.76 28.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.826 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.91 137.48 10.49 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.521 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -128.22 -50.95 1.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.877 0.37 . . . . 0.0 110.821 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.9 p 41.88 38.27 0.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.803 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.8 -156.48 31.42 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.451 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 157.96 58.52 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.672 2.248 . . . . 0.0 112.326 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.8 ptt180 -165.82 -176.05 3.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.0 mmtp -41.89 -67.13 0.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.4 175.27 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.085 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.4 m -100.93 49.22 0.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -72.15 -67.47 0.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.848 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.4 152.13 37.74 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.526 0.679 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 146.73 61.29 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.764 2.309 . . . . 0.0 112.34 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.7 Cg_endo -69.78 -26.58 27.36 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.645 2.23 . . . . 0.0 112.389 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 16' ' ' PRO . 36.1 mtp180 -35.34 -50.5 0.56 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.842 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -96.92 100.15 11.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -140.45 113.55 8.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.8 m -123.87 139.34 54.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.2 m -154.38 152.99 30.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.817 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.587 ' CB ' ' NE2' ' A' ' 65' ' ' GLN . . . -116.67 111.86 20.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.083 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.429 HG23 HG11 ' A' ' 142' ' ' VAL . 14.0 t -104.03 149.44 25.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.693 ' HB2' HD21 ' A' ' 69' ' ' LEU . 1.5 t -128.78 159.3 36.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.85 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.472 ' N ' ' SG ' ' A' ' 24' ' ' CYS . 62.3 t -110.28 101.33 12.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.152 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.632 HD13 HD11 ' A' ' 80' ' ' LEU . 19.2 tp -87.27 120.0 28.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.488 ' OE1' ' NE2' ' A' ' 127' ' ' GLN . 29.0 tt0 -128.59 137.93 51.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.414 ' NE2' ' CG1' ' A' ' 115' ' ' VAL . 3.7 pt20 -120.26 143.82 36.62 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.627 0.727 . . . . 0.0 110.944 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 118.42 5.67 Favored 'Trans proline' 0 N--CA 1.466 -0.11 0 C-N-CA 122.75 2.3 . . . . 0.0 112.332 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -116.83 175.71 15.86 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.529 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.87 -62.5 1.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.822 0.344 . . . . 0.0 111.114 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.2 mt -51.99 -44.07 63.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.45 -75.55 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.444 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -170.91 148.01 2.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.668 0.27 . . . . 0.0 111.179 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -135.95 150.44 49.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.423 HD11 ' HA ' ' A' ' 127' ' ' GLN . 2.8 pt -104.3 177.12 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.502 HD22 HD23 ' A' ' 26' ' ' LEU . 18.8 tp -109.28 145.84 35.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.413 ' CD1' ' CD1' ' A' ' 53' ' ' PHE . 10.2 tp -143.0 126.69 16.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.445 HG11 ' CE2' ' A' ' 76' ' ' TRP . 29.2 m -110.8 139.72 33.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.543 ' HB3' ' CE3' ' A' ' 51' ' ' TRP . 8.1 pt20 -92.1 161.74 14.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.963 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.1 mtt180 -102.4 155.86 35.98 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.6 0.714 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 132.28 22.99 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.715 2.276 . . . . 0.0 112.329 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -39.26 108.39 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.937 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.822 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 9.2 t -157.39 171.19 20.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -82.95 -165.56 37.75 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.0 mt 62.41 31.29 17.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.858 0.361 . . . . 0.0 110.908 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 14.2 tp 72.29 54.73 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.822 ' HB3' ' O ' ' A' ' 44' ' ' SER . . . -105.16 178.59 4.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.123 179.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.504 ' C ' HD22 ' A' ' 50' ' ' LEU . . . 78.38 20.88 71.12 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.497 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.504 HD22 ' C ' ' A' ' 49' ' ' GLY . 1.5 mm? -107.0 156.35 18.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.834 0.35 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.543 ' CE3' ' HB3' ' A' ' 40' ' ' GLN . 90.2 m95 -90.29 134.26 34.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.826 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.408 ' HA ' HD11 ' A' ' 38' ' ' LEU . 8.0 pt-20 -160.62 169.59 22.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.413 ' CD1' ' CD1' ' A' ' 38' ' ' LEU . 18.2 m-85 -69.42 146.62 96.53 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.63 0.729 . . . . 0.0 110.917 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 142.3 47.35 Favored 'Trans proline' 0 C--N 1.34 0.115 0 C-N-CA 122.66 2.24 . . . . 0.0 112.299 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 45.8 p -146.64 165.7 28.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.3 m -128.43 171.99 15.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.9 t -53.72 158.75 1.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.115 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 79.3 t90 -78.08 146.08 35.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.492 ' OE1' ' NE2' ' A' ' 65' ' ' GLN . 38.7 mp0 -122.38 136.08 26.16 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.669 0.747 . . . . 0.0 110.915 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -21.21 33.58 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.667 2.244 . . . . 0.0 112.298 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 t -99.68 165.83 11.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.827 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -88.03 -20.34 25.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.955 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.6 tp60 -91.47 -42.72 10.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.3 mp -61.44 -34.96 76.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.587 ' NE2' ' CB ' ' A' ' 22' ' ' ALA . 26.2 tp60 -55.81 -48.87 74.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.449 ' HB3' ' CD2' ' A' ' 85' ' ' LEU . 19.0 mtp180 -74.3 -43.7 55.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.6 mttm -52.37 -43.29 64.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -81.82 -40.19 22.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.188 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.693 HD21 ' HB2' ' A' ' 24' ' ' CYS . 21.8 tp -51.15 -42.32 60.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 72' ' ' GLU . 84.0 mt -71.94 -50.61 27.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.437 ' HG3' ' N ' ' A' ' 72' ' ' GLU . 1.5 pp0? -35.5 -31.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.964 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 70' ' ' LEU . 6.5 tp10 -82.96 -54.79 4.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.486 HD12 HD23 ' A' ' 70' ' ' LEU . 16.8 mt -42.89 -50.88 5.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -51.81 -46.55 64.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 25.8 mtm180 -47.66 -30.16 3.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.445 ' CE2' HG11 ' A' ' 39' ' ' VAL . 72.2 m95 -90.24 -74.68 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.422 ' HA ' HG21 ' A' ' 115' ' ' VAL . . . -73.66 -72.78 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 152.94 -103.29 0.24 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.593 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.656 ' O ' HD22 ' A' ' 80' ' ' LEU . 53.6 Cg_endo -69.78 116.67 4.67 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.704 2.269 . . . . 0.0 112.295 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.656 HD22 ' O ' ' A' ' 79' ' ' PRO . 4.3 mm? -129.69 133.73 25.39 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.633 0.73 . . . . 0.0 110.875 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.675 ' HG2' HD21 ' A' ' 107' ' ' LEU . 54.0 Cg_endo -69.75 -174.14 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.656 2.237 . . . . 0.0 112.344 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -130.07 -52.81 1.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.097 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 27.9 m -61.77 -37.45 84.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.178 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -55.63 -49.08 73.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.449 ' CD2' ' HB3' ' A' ' 66' ' ' ARG . 6.0 tp -49.2 122.44 6.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -134.2 154.95 50.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.789 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 -90.68 121.7 32.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 35.9 mt -122.29 90.96 3.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 59.41 -167.26 8.09 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.504 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -148.69 168.71 22.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.859 0.361 . . . . 0.0 110.899 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.441 HG23 ' CG2' ' A' ' 104' ' ' VAL . 40.8 t -137.64 106.53 4.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.073 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.517 HG22 ' HA ' ' A' ' 101' ' ' THR . 25.6 t -115.98 110.42 31.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.099 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 27.4 t60 -98.11 106.87 19.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.817 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.554 HG23 ' HZ2' ' A' ' 99' ' ' LYS . 31.1 m -82.72 114.96 21.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.478 ' N ' ' O ' ' A' ' 98' ' ' ILE . 35.7 m-85 -86.81 167.73 14.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.79 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 24.0 t -40.22 -66.35 0.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.84 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -115.28 3.24 14.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.888 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.529 ' CG2' ' N ' ' A' ' 99' ' ' LYS . 22.8 mt -121.2 160.58 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.554 ' HZ2' HG23 ' A' ' 94' ' ' THR . 0.0 OUTLIER -139.59 128.47 23.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.868 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.446 ' O ' HG13 ' A' ' 92' ' ' VAL . 3.2 mm? -113.63 144.65 42.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.517 ' HA ' HG22 ' A' ' 92' ' ' VAL . 29.5 m -128.54 106.58 9.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.097 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -110.05 130.08 55.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -95.46 111.48 23.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.604 HG11 HG12 ' A' ' 145' ' ' VAL . 60.9 t -70.28 125.46 28.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -139.46 135.9 34.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -112.13 136.51 13.57 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.527 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.675 HD21 ' HG2' ' A' ' 81' ' ' PRO . 1.6 tm? -147.79 113.88 5.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.812 0.339 . . . . 0.0 110.993 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.548 ' N ' HD13 ' A' ' 107' ' ' LEU . . . -130.68 144.26 51.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.06 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 43.8 mt -84.91 109.74 18.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -76.2 -57.01 4.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -130.84 -10.45 2.56 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.517 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -50.83 174.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.932 0.396 . . . . 0.0 110.905 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 19.9 p -78.59 142.83 62.34 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 121.589 0.709 . . . . 0.0 111.119 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 175.02 8.69 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.676 2.251 . . . . 0.0 112.312 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.569 HG22 ' H ' ' A' ' 117' ' ' THR . 2.8 p -106.68 -43.5 7.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.11 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 115' ' ' VAL . 14.9 p 35.49 34.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.196 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.569 ' H ' HG22 ' A' ' 115' ' ' VAL . 90.3 m -165.98 120.02 1.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.182 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.601 ' CG2' ' HB3' ' A' ' 122' ' ' ALA . 8.3 p -130.56 137.53 31.01 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.596 0.712 . . . . 0.0 111.172 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.558 ' HD2' HG23 ' A' ' 118' ' ' VAL . 53.8 Cg_endo -69.87 164.38 34.85 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.651 2.234 . . . . 0.0 112.317 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 102.8 1.06 Allowed 'Trans proline' 0 C--O 1.23 0.125 0 C-N-CA 122.697 2.264 . . . . 0.0 112.354 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 142.26 -16.67 2.52 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.476 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.601 ' HB3' ' CG2' ' A' ' 118' ' ' VAL . . . -106.58 165.36 11.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.759 0.314 . . . . 0.0 111.105 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.557 ' NE ' HD23 ' A' ' 125' ' ' LEU . 6.5 ttt180 -140.37 141.04 35.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.86 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' TRP . . . . . 0.493 ' NE1' HD13 ' A' ' 37' ' ' LEU . 35.0 m95 -114.2 105.94 13.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.989 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.557 HD23 ' NE ' ' A' ' 123' ' ' ARG . 1.3 pp -126.93 169.74 12.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 16.6 p -85.39 156.52 20.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.147 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.488 ' NE2' ' OE1' ' A' ' 27' ' ' GLU . 16.0 mp0 -44.2 -53.69 6.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.954 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -53.65 -46.88 70.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -56.01 -52.97 62.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.592 ' O ' ' HB3' ' A' ' 133' ' ' ALA . 29.1 t80 -38.69 -57.6 1.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.898 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -40.38 -61.32 0.93 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 22.5 p -58.55 -26.87 64.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.098 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.672 ' O ' HG23 ' A' ' 135' ' ' VAL . . . -63.52 144.84 56.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.082 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.62 98.94 0.4 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.139 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.718 HG12 ' HB2' ' A' ' 139' ' ' MET . 1.1 t -132.01 144.39 37.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 8.6 p -71.9 154.36 41.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.789 HG22 ' HD2' ' A' ' 141' ' ' LYS . 26.6 m -45.33 -60.86 1.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.091 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 137' ' ' THR . . . -37.52 -58.28 0.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.119 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' MET . . . . . 0.718 ' HB2' HG12 ' A' ' 135' ' ' VAL . 36.4 mmm -60.76 -51.54 68.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 11.5 mtpt -55.34 -17.45 4.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.789 ' HD2' HG22 ' A' ' 137' ' ' THR . 44.6 mtpt -90.37 -26.31 19.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.935 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.538 HG13 HG22 ' A' ' 104' ' ' VAL . 96.4 t -69.97 -28.75 37.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.136 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -73.14 -55.01 7.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -55.1 -22.3 15.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.836 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.604 HG12 HG11 ' A' ' 104' ' ' VAL . 25.0 t -88.37 -25.32 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.054 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -79.4 -33.62 42.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -68.81 -58.0 4.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -95.44 93.52 1.6 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.479 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -91.89 121.74 33.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.761 0.315 . . . . 0.0 110.903 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 52.2 m -63.38 171.29 2.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 111.88 -95.95 0.83 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.84 173.36 11.16 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.612 2.208 . . . . 0.0 112.336 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 86.5 p -97.06 108.37 21.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.826 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 95.4 p -49.82 137.36 16.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.796 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.459 179.895 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -137.9 125.78 22.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.86 0.362 . . . . 0.0 110.792 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.3 p -98.82 88.04 3.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.831 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.21 73.36 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.448 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.6 t -82.23 85.11 6.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.891 0.377 . . . . 0.0 110.867 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.6 p -137.3 144.16 42.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.884 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.04 158.27 30.21 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.458 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 -48.81 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.644 2.229 . . . . 0.0 112.401 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.9 ptt-85 -162.93 172.32 15.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.843 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.5 tptm -64.2 89.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 12' ' ' SER . . . -163.24 160.35 23.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 11' ' ' ALA . 11.1 t -36.25 128.33 0.74 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.84 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 -38.98 103.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.937 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.9 mmtt -133.62 151.48 77.26 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.563 0.697 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 150.86 68.76 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.602 2.201 . . . . 0.0 112.361 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -40.91 4.78 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.647 2.232 . . . . 0.0 112.362 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.7 mtm180 -40.51 -51.66 2.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -91.36 100.24 13.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.956 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -148.66 113.57 5.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.4 m -120.51 144.51 48.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.7 m -157.12 151.63 25.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.812 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -115.37 114.46 25.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.132 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.453 HG21 HG21 ' A' ' 142' ' ' VAL . 2.6 t -107.32 145.45 32.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.094 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.458 ' HB2' HD21 ' A' ' 69' ' ' LEU . 6.2 t -129.71 158.61 38.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.444 ' N ' ' SG ' ' A' ' 24' ' ' CYS . 68.9 t -108.43 117.27 53.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.137 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 29.5 tp -100.83 126.29 47.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.924 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -131.73 159.28 38.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.829 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.451 ' HG2' ' CZ3' ' A' ' 124' ' ' TRP . 6.2 pt20 -151.66 150.21 25.87 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.635 0.731 . . . . 0.0 110.912 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 125.77 12.53 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.71 2.273 . . . . 0.0 112.376 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -120.08 -177.66 16.12 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.82 -61.07 2.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.339 . . . . 0.0 111.082 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.8 mt -62.72 -40.68 97.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.41 -81.13 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -167.41 141.05 3.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.807 0.337 . . . . 0.0 111.052 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.26 163.39 24.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.4 pt -113.12 174.68 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.423 HD11 ' HB1' ' A' ' 122' ' ' ALA . 11.2 tp -105.73 150.32 25.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.661 HD22 HD21 ' A' ' 125' ' ' LEU . 11.3 tp -141.75 133.87 27.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.975 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.3 m -115.62 139.16 43.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.517 ' HB2' ' CD2' ' A' ' 51' ' ' TRP . 7.4 tt0 -113.92 121.85 45.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.55 149.68 87.91 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.647 0.737 . . . . 0.0 110.832 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -48.39 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.695 2.263 . . . . 0.0 112.366 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.626 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 5.7 m120 -169.91 106.9 0.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.0 m -127.79 104.52 7.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.879 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 42.49 -155.64 0.12 Allowed Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.494 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.3 mt -44.62 -64.46 0.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.762 0.315 . . . . 0.0 110.878 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.0 mt -72.18 91.75 1.31 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.626 ' HB1' ' HA ' ' A' ' 43' ' ' ASN . . . -120.0 147.96 44.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.88 34.76 62.04 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.572 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -103.93 141.79 35.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.864 0.364 . . . . 0.0 110.931 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.552 ' CZ3' ' HD2' ' A' ' 123' ' ' ARG . 85.3 m95 -85.42 132.94 34.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.429 ' CB ' ' HG3' ' A' ' 139' ' ' MET . 3.0 pt-20 -163.14 161.52 25.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.673 ' CZ ' ' CE1' ' A' ' 130' ' ' PHE . 16.7 m-85 -61.93 144.19 93.94 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.669 0.747 . . . . 0.0 110.888 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 143.89 52.34 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.716 2.277 . . . . 0.0 112.342 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.6 p -145.19 164.21 32.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.449 HG12 ' HB2' ' A' ' 72' ' ' GLU . 15.0 m -124.97 -178.61 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.134 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.2 p -69.8 126.38 29.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.442 ' CH2' ' HA ' ' A' ' 60' ' ' PRO . 88.4 t90 -44.7 158.42 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.966 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -140.76 136.53 16.42 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.599 0.714 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.442 ' HA ' ' CH2' ' A' ' 58' ' ' TRP . 54.1 Cg_endo -69.67 -22.39 32.56 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.738 2.292 . . . . 0.0 112.334 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.412 ' CB ' HD22 ' A' ' 64' ' ' LEU . 6.2 t -101.54 146.71 27.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.793 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -69.04 -19.21 64.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -89.83 -51.66 5.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.412 HD22 ' CB ' ' A' ' 61' ' ' SER . 0.7 OUTLIER -48.2 -39.67 21.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.973 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.419 ' O ' ' CB ' ' A' ' 69' ' ' LEU . 8.1 tp60 -57.11 -61.81 2.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 47.2 mtp180 -59.31 -39.03 81.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp -54.88 -70.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.48 -37.93 87.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.131 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.536 HD23 HD21 ' A' ' 85' ' ' LEU . 19.9 tp -46.38 -43.45 16.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.609 HD22 ' HB3' ' A' ' 80' ' ' LEU . 81.9 mt -74.16 -44.88 51.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -40.8 -44.84 2.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.449 ' HB2' HG12 ' A' ' 56' ' ' VAL . 1.7 tp10 -69.67 -53.27 19.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 27.0 mt -46.13 -47.33 17.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -53.96 -40.89 67.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.946 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 23.4 mtt-85 -53.12 -29.82 33.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 66.2 m95 -91.62 -72.45 0.59 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.603 ' HB1' HG21 ' A' ' 115' ' ' VAL . . . -75.27 -70.87 0.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.068 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 147.55 -98.77 0.19 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.488 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.65 109.46 2.3 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.686 2.258 . . . . 0.0 112.373 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.609 ' HB3' HD22 ' A' ' 70' ' ' LEU . 4.4 mm? -120.99 121.88 28.59 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.608 0.718 . . . . 0.0 110.934 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.769 ' HG2' HD21 ' A' ' 107' ' ' LEU . 53.4 Cg_endo -69.75 170.44 16.56 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.738 2.292 . . . . 0.0 112.339 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -115.62 -40.66 3.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.126 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 73.1 p -71.49 -33.22 69.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.122 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 21.1 m170 -65.85 -29.95 70.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.536 HD21 HD23 ' A' ' 69' ' ' LEU . 18.4 tp -65.15 152.71 42.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -171.24 146.23 2.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.923 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.43 ' NE2' ' O ' ' A' ' 89' ' ' GLY . 15.7 t-80 -86.8 119.95 27.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.463 HD12 ' HD1' ' A' ' 146' ' ' TYR . 23.0 mt -118.31 90.21 3.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.927 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.43 ' O ' ' NE2' ' A' ' 87' ' ' HIS . . . 66.0 -164.57 39.62 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.482 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -152.34 170.81 19.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.899 0.38 . . . . 0.0 110.909 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.463 ' CG1' ' HE3' ' A' ' 141' ' ' LYS . 71.0 t -142.89 108.05 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.13 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.623 HG13 ' O ' ' A' ' 100' ' ' LEU . 55.8 t -118.63 112.05 36.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.507 ' CD2' ' CE1' ' A' ' 95' ' ' PHE . 20.8 t60 -105.1 145.62 30.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 63.5 m -113.46 112.53 23.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.507 ' CE1' ' CD2' ' A' ' 93' ' ' HIS . 44.0 m-85 -99.89 -175.96 3.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.495 ' O ' ' CG ' ' A' ' 97' ' ' HIS . 4.2 m -46.49 107.22 0.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.495 ' CG ' ' O ' ' A' ' 96' ' ' SER . 24.0 p-80 45.1 31.73 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 61.3 mt -137.45 150.26 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.1 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 43.8 tttt -136.58 117.94 14.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.623 ' O ' HG13 ' A' ' 92' ' ' VAL . 3.4 mm? -104.14 154.62 19.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.485 ' HA ' HG22 ' A' ' 92' ' ' VAL . 17.7 m -133.05 101.24 5.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -107.98 120.19 41.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -89.14 120.08 30.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.449 HG22 HG13 ' A' ' 142' ' ' VAL . 73.1 t -75.86 125.82 35.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.09 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -132.94 140.42 47.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -111.62 142.99 17.24 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.5 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.769 HD21 ' HG2' ' A' ' 81' ' ' PRO . 1.2 tm? -157.01 113.95 3.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.833 0.349 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.599 ' N ' HD13 ' A' ' 107' ' ' LEU . . . -134.44 146.76 50.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 86.9 mt -87.66 108.56 19.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -45.87 -34.14 3.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 134.49 47.83 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.518 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.552 ' O ' HG23 ' A' ' 113' ' ' THR . 65.7 mm-40 -93.74 -56.16 2.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.864 0.364 . . . . 0.0 110.963 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.552 HG23 ' O ' ' A' ' 112' ' ' GLN . 19.0 p -159.87 143.13 10.33 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.624 0.726 . . . . 0.0 111.095 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -174.78 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.642 2.228 . . . . 0.0 112.378 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.603 HG21 ' HB1' ' A' ' 77' ' ' ALA . 6.6 p -113.47 -37.92 2.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.979 0.418 . . . . 0.0 111.129 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 115' ' ' VAL . 16.5 p 37.38 34.77 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.149 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 57.4 m -145.64 119.13 9.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.122 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.484 ' O ' HG13 ' A' ' 118' ' ' VAL . 4.3 p -159.99 124.97 2.18 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.656 0.741 . . . . 0.0 111.095 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 169.69 18.38 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.675 2.25 . . . . 0.0 112.38 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 0.37 5.67 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.624 2.216 . . . . 0.0 112.414 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -105.05 2.65 40.88 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.464 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.423 ' HB1' HD11 ' A' ' 37' ' ' LEU . . . -132.49 159.95 37.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 0.0 111.089 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.552 ' HD2' ' CZ3' ' A' ' 51' ' ' TRP . 8.8 ptm180 -143.12 137.9 29.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' TRP . . . . . 0.451 ' CZ3' ' HG2' ' A' ' 28' ' ' GLN . 42.9 m95 -97.03 101.17 12.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.661 HD21 HD22 ' A' ' 38' ' ' LEU . 1.7 pp -116.67 167.29 11.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.91 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 6.8 p -83.61 175.2 9.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.093 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -61.99 -44.85 95.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -65.28 -42.15 93.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.02 -35.92 74.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.673 ' CE1' ' CZ ' ' A' ' 53' ' ' PHE . 34.0 t80 -60.63 -50.58 72.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.876 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -52.37 -51.11 60.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.796 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 64.5 p -68.23 -29.05 67.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.167 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -57.48 -178.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -100.01 94.27 6.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.074 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.794 HG12 ' HB2' ' A' ' 139' ' ' MET . 1.0 OUTLIER -124.95 145.51 32.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.1 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 137' ' ' THR . 13.4 m -71.65 144.11 49.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.837 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 136' ' ' SER . 87.1 m -33.9 -65.08 0.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.044 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.429 ' HA ' ' CE ' ' A' ' 141' ' ' LYS . . . -42.04 -68.01 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.075 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' MET . . . . . 0.794 ' HB2' HG12 ' A' ' 135' ' ' VAL . 48.7 mmm -39.82 -55.21 2.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -50.25 -37.86 37.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.463 ' HE3' ' CG1' ' A' ' 91' ' ' VAL . 41.9 mtmt -65.62 -33.84 76.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.95 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.453 HG21 HG21 ' A' ' 23' ' ' THR . 54.1 t -62.2 -22.86 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -80.09 -61.54 1.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.961 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -48.42 -35.66 13.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.947 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.421 HG12 HG11 ' A' ' 104' ' ' VAL . 38.4 t -71.23 -32.42 47.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.14 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . 0.463 ' HD1' HD12 ' A' ' 88' ' ' LEU . 1.6 t80 -66.2 -45.74 79.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -42.69 -63.14 0.83 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.935 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -86.21 97.78 2.25 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.441 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -46.94 -45.26 20.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.748 0.309 . . . . 0.0 110.834 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 51.4 m -96.67 142.58 28.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.811 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.428 ' N ' ' HD2' ' A' ' 152' ' ' PRO . . . -58.7 -62.33 6.37 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.507 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . 0.428 ' HD2' ' N ' ' A' ' 151' ' ' GLY . 53.4 Cg_endo -69.83 176.14 7.22 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.653 2.236 . . . . 0.0 112.336 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 11.2 t -135.36 123.73 23.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 8.9 t -60.19 -56.57 19.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.878 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.527 179.945 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.5 t 54.26 41.47 31.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.809 0.337 . . . . 0.0 110.8 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.9 p -99.83 42.1 1.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.61 41.46 2.01 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.45 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.0 m 55.89 44.72 25.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.89 0.376 . . . . 0.0 110.789 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.1 t -111.68 -41.16 4.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.64 -163.91 46.55 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.484 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 9' ' ' ARG . 53.5 Cg_endo -69.83 -0.11 6.5 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.61 2.206 . . . . 0.0 112.357 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 8' ' ' PRO . 49.3 mtt180 -34.83 -57.58 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -138.32 119.8 14.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.14 98.63 0.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.098 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.0 t -97.99 -38.12 9.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -112.66 -58.2 2.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.848 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.8 mmtm -118.77 145.08 36.9 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.593 0.711 . . . . 0.0 110.943 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 169.54 18.67 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.637 2.224 . . . . 0.0 112.402 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.3 Cg_endo -69.81 -25.08 28.75 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.665 2.243 . . . . 0.0 112.281 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 16' ' ' PRO . 36.5 mtp180 -35.06 -47.75 0.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -100.89 100.22 10.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.925 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -138.41 113.49 9.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.831 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.43 ' C ' ' HB2' ' A' ' 58' ' ' TRP . 25.2 m -117.13 139.44 50.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.849 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.2 m -154.8 152.08 29.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -119.74 112.2 18.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.096 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.508 HG23 HG11 ' A' ' 142' ' ' VAL . 5.8 t -104.2 146.52 28.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.453 ' HB2' HD11 ' A' ' 69' ' ' LEU . 53.2 t -123.0 160.29 26.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 67.0 t -114.97 103.48 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.146 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.428 HD13 HD11 ' A' ' 80' ' ' LEU . 41.4 tp -89.26 122.01 32.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.817 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -124.32 152.9 42.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.451 ' HG2' HD12 ' A' ' 109' ' ' LEU . 24.0 mt-30 -149.81 145.67 19.33 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.554 0.692 . . . . 0.0 110.903 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 131.34 21.01 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.67 2.247 . . . . 0.0 112.292 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -125.27 -168.86 12.82 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.522 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.48 -47.87 79.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.835 0.35 . . . . 0.0 111.119 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.4 mt -69.07 -42.89 75.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.32 -55.76 0.18 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.518 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -157.47 169.13 25.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.779 0.323 . . . . 0.0 111.061 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -162.3 129.63 3.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.937 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.505 HD11 ' HB2' ' A' ' 130' ' ' PHE . 4.4 pt -96.54 174.24 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.3 tp -108.66 145.62 34.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.583 HD22 HD21 ' A' ' 125' ' ' LEU . 8.8 tp -143.12 127.32 17.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.538 HG12 ' HB2' ' A' ' 122' ' ' ALA . 18.2 m -104.61 159.49 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.093 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -102.56 155.76 18.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.6 mtp85 -90.24 149.29 41.0 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.566 0.698 . . . . 0.0 110.871 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -172.76 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.658 2.239 . . . . 0.0 112.364 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -73.07 88.35 1.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.6 p -107.12 -179.07 3.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.956 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -104.19 -39.56 2.43 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.513 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.48 ' C ' HD12 ' A' ' 47' ' ' LEU . 12.5 mt -71.19 -69.71 0.36 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.788 0.328 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.48 HD12 ' C ' ' A' ' 46' ' ' LEU . 7.8 mp -124.18 90.88 3.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -103.74 139.85 38.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.038 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.87 30.59 55.68 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.489 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -105.65 145.43 31.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.847 0.356 . . . . 0.0 110.94 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.525 ' HB3' HD23 ' A' ' 38' ' ' LEU . 84.9 m95 -103.32 125.94 50.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.439 ' N ' ' CD ' ' A' ' 52' ' ' GLU . 1.1 pm0 -152.15 165.48 34.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.924 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.778 ' CZ ' ' CE1' ' A' ' 130' ' ' PHE . 12.8 m-85 -64.88 146.79 98.66 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.71 0.767 . . . . 0.0 110.843 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 143.22 50.14 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.692 2.262 . . . . 0.0 112.403 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.6 p -145.37 174.28 11.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.4 HG12 ' CB ' ' A' ' 72' ' ' GLU . 5.3 m -133.54 -176.32 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.4 p -70.94 125.41 26.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.185 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.43 ' HB2' ' C ' ' A' ' 20' ' ' SER . 79.8 t90 -44.09 158.71 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -138.86 134.43 17.04 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.644 0.735 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.89 -20.53 34.08 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.742 2.295 . . . . 0.0 112.34 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.3 t -97.1 161.37 13.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -79.48 -28.54 41.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 27.8 tp60 -85.55 -60.65 1.97 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.3 mp -37.51 -41.84 0.48 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -54.94 -51.37 66.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.96 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 38.4 mtt180 -68.72 -46.26 69.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.7 mtmt -50.05 -62.66 1.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.46 -43.31 94.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.137 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.453 HD11 ' HB2' ' A' ' 24' ' ' CYS . 9.6 tp -42.83 -48.24 5.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.973 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.579 HD23 HD12 ' A' ' 73' ' ' LEU . 86.7 mt -72.22 -46.87 54.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 70' ' ' LEU . 23.0 mt-30 -36.99 -35.97 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.4 ' CB ' HG12 ' A' ' 56' ' ' VAL . 3.7 tp10 -81.97 -53.8 5.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.579 HD12 HD23 ' A' ' 70' ' ' LEU . 22.4 mt -41.97 -48.94 4.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -53.32 -39.23 63.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -55.53 -29.51 59.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.799 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.601 ' CE3' ' HB2' ' A' ' 122' ' ' ALA . 77.4 m95 -89.93 -70.34 0.67 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.756 ' HB1' HG21 ' A' ' 115' ' ' VAL . . . -79.12 -72.26 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.081 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 149.81 -100.48 0.21 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 108.37 2.08 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.712 2.275 . . . . 0.0 112.307 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.428 HD11 HD13 ' A' ' 26' ' ' LEU . 4.4 mm? -120.56 135.27 24.49 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.544 0.688 . . . . 0.0 110.959 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.865 ' HG2' HD21 ' A' ' 107' ' ' LEU . 53.4 Cg_endo -69.84 -175.66 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.633 2.222 . . . . 0.0 112.347 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -128.22 -73.67 0.59 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.1 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -50.42 -38.06 41.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.166 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -51.22 -44.71 61.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.529 ' CA ' HD23 ' A' ' 107' ' ' LEU . 16.8 tp -55.41 154.93 5.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.965 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.465 ' N ' ' HG ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -170.85 155.13 4.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.885 179.899 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -87.85 123.72 32.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.426 HD21 ' HD3' ' A' ' 86' ' ' ARG . 3.9 mt -128.36 93.07 3.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 65.77 -175.88 16.59 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.461 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.86 171.09 15.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.946 0.403 . . . . 0.0 110.846 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 38.3 t -140.72 109.06 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.48 ' CG1' ' HD3' ' A' ' 99' ' ' LYS . 53.5 t -120.23 114.25 43.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 39.0 t60 -102.76 145.35 29.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -110.76 105.0 13.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -79.75 -179.02 6.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 46.8 t -45.41 -63.72 0.89 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.528 ' CD2' HG13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -130.32 24.09 5.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.864 179.908 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.528 HG13 ' CD2' ' A' ' 97' ' ' HIS . 35.9 mt -136.37 143.75 34.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.48 ' HD3' ' CG1' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -120.59 108.28 13.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 179.854 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -91.24 149.69 21.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.985 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 57.0 m -132.49 105.58 7.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.132 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -109.74 128.88 55.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.954 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 -95.49 119.66 34.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.718 HG22 HG13 ' A' ' 142' ' ' VAL . 57.4 t -74.01 127.42 35.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -136.99 127.32 26.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -106.58 137.17 13.75 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.378 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.865 HD21 ' HG2' ' A' ' 81' ' ' PRO . 1.7 tm? -155.59 108.72 2.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.79 0.328 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.465 ' N ' HD13 ' A' ' 107' ' ' LEU . . . -127.96 147.6 50.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.101 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.451 HD12 ' HG2' ' A' ' 28' ' ' GLN . 94.0 mt -88.59 108.41 19.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -46.62 -29.16 1.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 135.2 65.08 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.494 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -108.01 -72.91 0.7 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.85 0.357 . . . . 0.0 110.966 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.1 p -140.12 142.16 29.23 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.601 0.715 . . . . 0.0 111.13 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -177.76 2.05 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.651 2.234 . . . . 0.0 112.337 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.756 HG21 ' HB1' ' A' ' 77' ' ' ALA . 7.7 p -114.43 -40.95 3.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 115' ' ' VAL . 11.3 p 33.71 42.13 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.216 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 22.9 m -157.82 124.38 4.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.074 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.479 ' CG2' ' HB3' ' A' ' 122' ' ' ALA . 9.7 p -168.0 136.17 1.9 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.576 0.703 . . . . 0.0 111.161 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 118' ' ' VAL . 54.1 Cg_endo -69.72 167.42 24.43 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.66 2.24 . . . . 0.0 112.383 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 -0.8 7.41 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.731 2.288 . . . . 0.0 112.386 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -101.4 4.28 54.54 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.498 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.601 ' HB2' ' CE3' ' A' ' 76' ' ' TRP . . . -134.52 165.96 24.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.803 0.335 . . . . 0.0 111.11 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -149.31 149.24 30.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 33.0 m95 -107.22 105.23 15.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.94 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.583 HD21 HD22 ' A' ' 38' ' ' LEU . 1.6 pp -120.92 169.82 10.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.943 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 6.0 p -88.07 173.2 9.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.144 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -58.9 -45.81 89.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.977 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -64.59 -33.36 75.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -73.34 -32.99 64.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.778 ' CE1' ' CZ ' ' A' ' 53' ' ' PHE . 9.3 t80 -61.8 -46.0 91.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -61.11 -40.89 95.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 80.4 p -72.29 -24.59 61.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.203 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -66.3 169.7 6.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.018 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -87.91 97.56 11.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.738 HG12 ' HB2' ' A' ' 139' ' ' MET . 1.0 OUTLIER -127.61 144.96 35.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.103 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 137' ' ' THR . 77.4 p -78.43 143.74 36.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.802 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.534 HG22 ' HD2' ' A' ' 141' ' ' LYS . 4.0 m -34.99 -62.19 0.38 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.143 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 137' ' ' THR . . . -35.32 -57.89 0.58 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.129 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' MET . . . . . 0.738 ' HB2' HG12 ' A' ' 135' ' ' VAL . 22.9 mmm -65.09 -47.43 77.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -54.89 -18.86 5.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.534 ' HD2' HG22 ' A' ' 137' ' ' THR . 7.8 mtpm? -89.37 -23.02 22.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.718 HG13 HG22 ' A' ' 104' ' ' VAL . 63.7 t -76.93 -13.14 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.152 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.551 ' CE2' ' NE2' ' A' ' 147' ' ' GLN . 84.7 t80 -84.41 -51.11 7.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 28.7 ptt85 -62.7 -23.64 67.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.867 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.472 HG11 HG21 ' A' ' 104' ' ' VAL . 55.8 t -79.54 -21.24 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.088 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -83.97 -39.02 20.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . 0.551 ' NE2' ' CE2' ' A' ' 143' ' ' PHE . 56.4 mt-30 -54.63 -43.52 72.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.926 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -56.25 -85.03 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.509 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 41.65 41.76 1.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.771 0.32 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 11.6 t -142.91 143.31 31.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -110.97 146.33 17.62 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.497 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -3.8 12.77 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.687 2.258 . . . . 0.0 112.36 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 35.8 t -40.2 152.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.806 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 26.3 t -111.13 -44.45 3.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.546 179.95 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.4 p -166.51 153.8 9.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.824 0.345 . . . . 0.0 110.859 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 p -118.81 56.74 0.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.837 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.93 158.61 9.61 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.525 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.8 t -90.05 138.09 31.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.862 0.363 . . . . 0.0 110.891 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.5 p -167.15 134.28 2.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.69 144.08 11.57 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.481 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.498 ' O ' ' CG ' ' A' ' 9' ' ' ARG . 53.6 Cg_endo -69.77 4.08 2.4 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.672 2.248 . . . . 0.0 112.379 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.498 ' CG ' ' O ' ' A' ' 8' ' ' PRO . 4.0 ptm180 50.12 30.1 4.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.3 tptp -134.47 156.21 48.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.58 59.76 3.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.054 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.9 t -172.41 176.91 3.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.826 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.1 mtp180 -108.2 87.89 2.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -148.1 152.38 39.67 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.604 0.716 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.91 149.46 65.99 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.669 2.246 . . . . 0.0 112.276 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 17' ' ' ARG . 54.2 Cg_endo -69.67 -31.08 21.64 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.74 2.293 . . . . 0.0 112.341 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.439 ' CD ' ' O ' ' A' ' 97' ' ' HIS . 6.4 mmm180 -36.4 -68.99 0.12 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -76.74 100.2 5.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -146.19 113.49 6.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 75.7 m -127.37 147.07 50.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 72.3 m -154.89 162.25 41.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.525 ' CB ' ' CD ' ' A' ' 65' ' ' GLN . . . -124.43 113.1 17.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.04 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.543 ' CG2' HG11 ' A' ' 142' ' ' VAL . 15.1 t -104.47 152.98 21.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.091 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.743 ' HB2' HD21 ' A' ' 69' ' ' LEU . 1.1 t -133.92 145.45 49.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 78.7 t -100.5 113.8 37.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.169 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.2 tp -100.78 124.27 46.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.468 ' HB2' HG22 ' A' ' 36' ' ' ILE . 44.7 tt0 -130.19 155.62 45.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -144.44 147.65 37.45 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.546 0.689 . . . . 0.0 110.932 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 120.21 7.03 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.633 2.222 . . . . 0.0 112.355 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -111.24 150.9 17.88 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.467 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -38.45 -56.89 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.762 0.315 . . . . 0.0 111.091 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 32.1 mt -63.05 -48.19 79.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.62 -83.15 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.483 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -168.13 158.99 10.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.792 0.329 . . . . 0.0 111.119 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -152.9 156.67 39.38 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.468 HG22 ' HB2' ' A' ' 27' ' ' GLU . 7.5 pt -109.27 173.57 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.173 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.502 HD13 ' NE1' ' A' ' 124' ' ' TRP . 6.9 tp -106.49 148.66 27.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.96 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.598 HD12 ' CD1' ' A' ' 53' ' ' PHE . 9.1 tp -146.22 131.42 18.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.688 HG11 ' CE2' ' A' ' 76' ' ' TRP . 34.1 m -111.88 155.03 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.052 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.401 ' HB2' ' CE3' ' A' ' 51' ' ' TRP . 32.1 tt0 -107.96 125.4 51.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -63.78 137.77 97.19 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.602 0.715 . . . . 0.0 110.85 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -16.28 37.6 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.68 2.254 . . . . 0.0 112.425 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.528 ' CB ' ' HB1' ' A' ' 48' ' ' ALA . 15.7 m120 -44.66 168.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.8 t -161.4 118.52 2.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 162.42 -145.41 10.67 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.474 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.5 mt -53.41 -65.7 0.52 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.905 0.383 . . . . 0.0 110.947 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.9 tt -117.34 70.18 0.78 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.528 ' HB1' ' CB ' ' A' ' 43' ' ' ASN . . . -140.27 171.81 13.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.161 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.06 18.72 73.14 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.51 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.429 ' CD2' ' O ' ' A' ' 48' ' ' ALA . 3.2 mm? -90.61 144.82 25.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.833 0.349 . . . . 0.0 110.864 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.512 ' HB3' HD23 ' A' ' 38' ' ' LEU . 87.4 m95 -76.25 142.52 41.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.904 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -170.96 160.88 6.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.598 ' CD1' HD12 ' A' ' 38' ' ' LEU . 14.8 m-85 -64.37 147.62 97.0 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.658 0.742 . . . . 0.0 110.891 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 142.55 48.39 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.713 2.276 . . . . 0.0 112.415 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 84.4 p -146.49 168.86 20.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.849 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.438 HG12 ' HB2' ' A' ' 72' ' ' GLU . 4.7 m -128.94 171.06 17.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.19 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.8 t -54.13 152.82 5.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 87.6 t90 -70.23 142.45 52.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -130.48 132.15 23.81 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.66 0.743 . . . . 0.0 110.947 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -25.34 28.53 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.66 2.24 . . . . 0.0 112.315 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.1 t -93.1 129.65 39.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.869 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -54.26 -26.99 32.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -83.32 -61.37 1.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.5 mp -41.56 -39.2 1.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.525 ' CD ' ' CB ' ' A' ' 22' ' ' ALA . 2.9 tp-100 -59.71 -57.31 13.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 70.4 mtm180 -60.03 -40.76 90.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.2 mtpt -51.17 -51.56 52.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 70' ' ' LEU . . . -73.62 -51.96 15.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.832 HD23 HD21 ' A' ' 85' ' ' LEU . 65.8 tp -34.28 -35.2 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 68' ' ' ALA . 91.8 mt -87.81 -45.3 10.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.964 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 68' ' ' ALA . 5.9 pt20 -46.33 -23.04 0.3 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.438 ' HB2' HG12 ' A' ' 56' ' ' VAL . 2.6 tp10 -92.5 -52.58 4.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.721 HD11 ' SG ' ' A' ' 24' ' ' CYS . 13.8 mt -45.81 -44.49 14.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.969 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -55.39 -38.7 69.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.943 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -51.46 -30.16 18.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.804 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.688 ' CE2' HG11 ' A' ' 39' ' ' VAL . 63.4 m95 -92.36 -71.47 0.64 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.976 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.516 ' HB1' HG21 ' A' ' 115' ' ' VAL . . . -75.15 -73.73 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.082 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 150.46 -100.9 0.21 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.514 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.661 ' O ' HD22 ' A' ' 80' ' ' LEU . 54.4 Cg_endo -69.74 114.17 3.61 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.702 2.268 . . . . 0.0 112.417 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.661 HD22 ' O ' ' A' ' 79' ' ' PRO . 4.4 mm? -128.96 136.19 28.8 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.61 0.719 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.931 ' HG2' HD21 ' A' ' 107' ' ' LEU . 54.0 Cg_endo -69.76 -179.91 3.24 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.776 2.317 . . . . 0.0 112.298 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -125.19 -56.37 1.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 41.4 p -64.12 -40.27 95.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.092 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -49.57 -39.31 34.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.832 HD21 HD23 ' A' ' 69' ' ' LEU . 11.1 tp -54.62 120.39 6.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.1 tpp85 -127.4 142.74 51.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 21.8 t-80 -81.78 124.28 29.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.473 HD22 ' HA ' ' A' ' 149' ' ' GLN . 38.2 mt -128.03 92.17 3.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.935 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 57.63 -175.43 1.88 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.462 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -141.06 170.59 15.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.944 0.402 . . . . 0.0 110.839 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.472 HG21 ' HA ' ' A' ' 142' ' ' VAL . 44.4 t -135.32 119.54 26.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.608 HG22 ' HA ' ' A' ' 101' ' ' THR . 44.8 t -134.19 107.19 9.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -99.24 123.52 43.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 24.5 m -92.41 109.6 20.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -83.64 -175.92 6.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 30.7 t -49.79 -72.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.439 ' O ' ' CD ' ' A' ' 17' ' ' ARG . 13.9 p-80 -118.82 29.03 7.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.855 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.433 HG13 ' C ' ' A' ' 97' ' ' HIS . 23.1 mt -142.53 149.6 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.087 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -132.06 121.45 23.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.511 ' O ' HG13 ' A' ' 92' ' ' VAL . 2.6 mm? -106.59 154.12 21.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.608 ' HA ' HG22 ' A' ' 92' ' ' VAL . 91.8 m -135.01 103.92 5.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.119 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -105.78 136.41 45.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -104.03 114.94 29.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.927 HG22 HG13 ' A' ' 142' ' ' VAL . 85.1 t -72.81 126.38 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -139.52 113.11 8.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -86.0 145.3 20.64 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.469 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.931 HD21 ' HG2' ' A' ' 81' ' ' PRO . 2.3 tm? -156.97 114.95 3.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.788 0.327 . . . . 0.0 110.993 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.478 ' N ' HD13 ' A' ' 107' ' ' LEU . . . -131.43 153.05 50.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.102 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 71.7 mt -95.75 108.3 20.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -48.84 -36.02 15.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 141.72 41.41 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.511 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -80.78 -67.84 0.74 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.841 0.353 . . . . 0.0 110.898 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.2 p -152.5 143.18 15.52 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.568 0.699 . . . . 0.0 111.142 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 170.69 16.03 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.558 2.172 . . . . 0.0 112.358 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.73 HG22 ' H ' ' A' ' 117' ' ' THR . 2.4 p -102.67 -40.15 6.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.16 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 17.1 p 38.87 26.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.73 ' H ' HG22 ' A' ' 115' ' ' VAL . 18.3 m -136.6 125.98 24.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.09 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.569 ' O ' HG13 ' A' ' 118' ' ' VAL . 4.5 p -165.71 119.51 0.91 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.617 0.723 . . . . 0.0 111.165 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 170.1 17.28 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.706 2.271 . . . . 0.0 112.365 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 3.07 2.98 Favored 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.76 2.307 . . . . 0.0 112.309 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -105.41 2.51 39.89 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.513 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.503 ' HB2' ' CE3' ' A' ' 76' ' ' TRP . . . -129.06 168.54 15.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.813 0.34 . . . . 0.0 111.063 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -151.46 134.9 16.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' TRP . . . . . 0.502 ' NE1' HD13 ' A' ' 37' ' ' LEU . 38.0 m95 -102.18 111.01 23.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.455 ' HB2' ' CB ' ' A' ' 129' ' ' GLU . 1.3 pp -125.58 169.26 12.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.88 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 7.3 p -85.55 175.19 8.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.093 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 16.7 mp0 -61.69 -41.56 97.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.966 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -74.84 -24.08 58.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.455 ' CB ' ' HB2' ' A' ' 125' ' ' LEU . 20.5 mt-10 -73.24 -39.53 65.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.598 ' CE2' HG21 ' A' ' 135' ' ' VAL . 3.8 t80 -62.97 -47.86 81.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . 0.419 ' CE1' ' CE2' ' A' ' 143' ' ' PHE . 11.1 m-70 -43.46 -62.14 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.812 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 36.3 p -61.75 -29.07 69.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.115 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 130' ' ' PHE . . . -56.75 152.65 11.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.098 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.73 99.9 6.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.615 HG12 ' HB2' ' A' ' 139' ' ' MET . 2.3 t -126.67 147.58 31.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.117 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 137' ' ' THR . 34.5 t -68.77 138.92 55.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.697 HG22 ' HD2' ' A' ' 141' ' ' LYS . 91.4 m -33.95 -65.86 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.136 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 137' ' ' THR . . . -36.75 -69.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' MET . . . . . 0.615 ' HB2' HG12 ' A' ' 135' ' ' VAL . 36.0 mmm -42.59 -59.4 1.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? -43.99 -38.59 3.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.927 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.697 ' HD2' HG22 ' A' ' 137' ' ' THR . 6.4 mtpm? -67.55 -34.0 76.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.888 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.927 HG13 HG22 ' A' ' 104' ' ' VAL . 90.2 t -64.53 -19.74 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.052 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.419 ' CE2' ' CE1' ' A' ' 131' ' ' HIS . 64.8 t80 -81.72 -55.58 4.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -55.6 -17.89 6.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.787 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 40.8 t -87.08 -36.45 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.143 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -68.42 -32.1 71.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.962 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -48.91 -50.5 34.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -94.16 115.62 5.06 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.497 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . 0.473 ' HA ' HD22 ' A' ' 88' ' ' LEU . 65.1 mt-30 -83.68 -61.72 1.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.705 0.288 . . . . 0.0 110.87 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 68.9 m -67.24 146.89 53.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.849 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 133.06 -95.03 0.28 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.487 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -18.68 36.87 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.719 2.279 . . . . 0.0 112.351 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 45.7 m -58.74 -54.26 49.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.817 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 20.1 t -128.59 132.67 48.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.819 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.511 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.2 m -161.47 166.94 26.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.86 0.362 . . . . 0.0 110.897 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.7 m -83.7 -60.27 2.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.3 -142.58 33.01 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.535 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 m 49.29 48.68 20.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.853 0.359 . . . . 0.0 110.881 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -173.74 160.14 3.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.845 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.41 ' HA3' ' HD2' ' A' ' 8' ' ' PRO . . . -62.15 -146.71 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.524 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.41 ' HD2' ' HA3' ' A' ' 7' ' ' GLY . 53.6 Cg_endo -69.76 108.9 2.18 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.691 2.261 . . . . 0.0 112.314 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.4 mmm-85 -81.03 162.04 23.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.863 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 11' ' ' ALA . 0.3 OUTLIER -170.51 160.04 7.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 10' ' ' LYS . . . -34.0 -58.1 0.45 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.089 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.3 t -114.01 47.92 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.79 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.6 mtt85 39.56 34.84 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? -55.49 152.63 16.84 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.593 0.711 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 169.77 18.17 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.739 2.293 . . . . 0.0 112.296 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.8 Cg_endo -69.76 -23.21 31.06 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.677 2.251 . . . . 0.0 112.305 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 16' ' ' PRO . 87.8 mtt180 -34.06 -59.5 0.42 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -95.18 100.23 12.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.899 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -140.58 113.54 8.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.838 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.427 ' HB2' ' CB ' ' A' ' 58' ' ' TRP . 7.1 m -120.31 140.04 51.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.897 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 73.8 m -156.93 155.38 31.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.889 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.544 ' CB ' ' CD ' ' A' ' 65' ' ' GLN . . . -116.83 118.0 31.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.063 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.1 t -109.3 150.2 28.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.064 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.423 ' HB2' HD21 ' A' ' 69' ' ' LEU . 42.3 t -135.19 144.67 47.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 93.4 t -95.16 121.92 46.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.161 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.1 tp -104.26 114.5 28.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -120.96 157.29 30.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.567 ' HG2' HD12 ' A' ' 109' ' ' LEU . 38.9 mt-30 -145.92 129.12 8.25 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.639 0.733 . . . . 0.0 110.944 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 116.88 4.77 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.653 2.235 . . . . 0.0 112.351 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 31' ' ' ALA . . . -129.78 164.2 22.6 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.505 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 30' ' ' GLY . . . -36.52 -63.79 0.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.366 . . . . 0.0 111.099 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.1 mt -43.33 -42.33 4.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 153.3 -67.94 0.31 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.526 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.72 146.37 13.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.797 0.332 . . . . 0.0 111.09 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.556 ' HG3' HG22 ' A' ' 126' ' ' THR . 19.0 tt0 -149.68 131.51 15.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.937 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.6 pt -101.57 175.6 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.469 HD13 ' NE1' ' A' ' 124' ' ' TRP . 13.1 tp -106.69 149.04 27.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.556 HD22 HD21 ' A' ' 125' ' ' LEU . 10.6 tp -145.54 124.27 12.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.579 HG11 ' CE2' ' A' ' 76' ' ' TRP . 35.5 m -103.65 150.12 7.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.535 ' HB2' ' CE3' ' A' ' 51' ' ' TRP . 40.4 tt0 -98.95 160.31 14.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.401 ' N ' ' HG2' ' A' ' 40' ' ' GLN . 14.0 mtt-85 -93.94 149.57 37.17 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.611 0.72 . . . . 0.0 110.841 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 166.82 26.42 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.639 2.226 . . . . 0.0 112.361 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.486 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 64.0 t30 -44.92 -57.74 3.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 t -82.83 138.76 33.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 46' ' ' LEU . . . 132.67 128.08 2.87 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.485 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 45' ' ' GLY . 16.3 mt -36.0 131.06 0.59 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.763 0.316 . . . . 0.0 110.943 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.517 ' O ' HD23 ' A' ' 50' ' ' LEU . 76.0 mt 60.47 39.68 18.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 43' ' ' ASN . . . -60.03 143.16 52.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.088 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.562 ' C ' HD22 ' A' ' 50' ' ' LEU . . . 88.95 19.0 53.03 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.459 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.562 HD22 ' C ' ' A' ' 49' ' ' GLY . 3.2 mm? -116.7 142.46 46.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.835 0.35 . . . . 0.0 110.903 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.535 ' CE3' ' HB2' ' A' ' 40' ' ' GLN . 77.1 m95 -90.11 141.02 29.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.973 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -165.8 152.25 9.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.854 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.435 ' CE1' HD13 ' A' ' 38' ' ' LEU . 21.7 m-85 -54.53 146.71 32.75 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.677 0.751 . . . . 0.0 110.857 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.414 ' HG2' HD21 ' A' ' 73' ' ' LEU . 54.2 Cg_endo -69.72 141.77 46.29 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.683 2.255 . . . . 0.0 112.413 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.8 p -146.57 158.03 43.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.85 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.576 HG12 ' HB2' ' A' ' 72' ' ' GLU . 16.9 m -119.18 179.73 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.196 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.2 t -62.6 150.62 40.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.161 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.427 ' CB ' ' HB2' ' A' ' 20' ' ' SER . 89.9 t90 -67.96 147.9 51.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -133.31 133.36 22.77 Favored Pre-proline 0 C--N 1.331 -0.218 0 CA-C-O 121.665 0.745 . . . . 0.0 110.828 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -24.27 29.64 Favored 'Trans proline' 0 N--CA 1.465 -0.198 0 C-N-CA 122.748 2.299 . . . . 0.0 112.316 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.2 t -100.04 128.49 46.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.873 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.74 -38.31 15.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 64' ' ' LEU . 31.0 tt0 -71.03 -66.35 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.961 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 63' ' ' GLN . 5.5 mp -36.04 -41.9 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.544 ' CD ' ' CB ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -58.59 -52.32 66.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.903 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 41.6 mtt180 -65.27 -46.68 79.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.9 mtpt -47.37 -56.63 6.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' A' ' 70' ' ' LEU . . . -72.85 -52.06 16.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.055 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.681 HD23 HD21 ' A' ' 85' ' ' LEU . 17.5 tp -34.59 -32.39 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.541 HD22 ' HB3' ' A' ' 80' ' ' LEU . 90.0 mt -86.97 -42.89 12.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.953 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 68' ' ' ALA . 5.5 pt20 -44.32 -30.6 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.576 ' HB2' HG12 ' A' ' 56' ' ' VAL . 4.1 tp10 -82.33 -55.62 4.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.414 HD21 ' HG2' ' A' ' 54' ' ' PRO . 18.1 mt -46.66 -47.06 20.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -53.02 -35.19 59.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -56.65 -33.62 66.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.579 ' CE2' HG11 ' A' ' 39' ' ' VAL . 67.1 m95 -86.72 -71.63 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.689 ' HB1' HG21 ' A' ' 115' ' ' VAL . . . -74.74 -71.44 0.35 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.125 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 146.93 -100.25 0.22 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.515 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 107.8 1.94 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.726 2.284 . . . . 0.0 112.337 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.541 ' HB3' HD22 ' A' ' 70' ' ' LEU . 4.3 mm? -118.6 139.84 27.55 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.589 0.709 . . . . 0.0 110.918 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.831 ' HG2' HD21 ' A' ' 107' ' ' LEU . 52.9 Cg_endo -69.75 -173.6 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.7 2.267 . . . . 0.0 112.352 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -134.64 -54.94 0.83 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.145 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 21.2 p -64.64 -55.59 19.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.151 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -39.51 -42.02 1.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.681 HD21 HD23 ' A' ' 69' ' ' LEU . 29.2 tp -53.28 127.94 26.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.953 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -141.72 156.93 45.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.408 ' HB2' ' CE1' ' A' ' 105' ' ' TYR . 18.7 t-80 -93.91 126.84 39.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.685 HD22 ' CB ' ' A' ' 149' ' ' GLN . 8.0 mt -127.99 93.78 3.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 60.69 -166.65 11.83 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.456 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.84 170.54 19.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.907 0.384 . . . . 0.0 110.895 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.425 HG23 ' CG2' ' A' ' 104' ' ' VAL . 71.7 t -140.96 105.19 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.483 HG22 ' HA ' ' A' ' 101' ' ' THR . 53.3 t -115.3 103.58 15.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.129 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -99.98 138.38 37.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 54.2 m -108.43 104.58 13.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.179 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -85.54 -175.4 5.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.548 ' O ' ' CG ' ' A' ' 97' ' ' HIS . 2.2 m -48.75 109.7 0.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.548 ' CG ' ' O ' ' A' ' 96' ' ' SER . 21.6 p-80 46.44 31.75 1.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 38.8 mt -141.32 151.06 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -133.44 119.12 19.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.443 ' O ' HG13 ' A' ' 92' ' ' VAL . 2.7 mm? -107.71 142.81 37.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.483 ' HA ' HG22 ' A' ' 92' ' ' VAL . 63.8 m -124.37 103.92 8.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.175 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -106.38 130.93 54.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -95.46 113.11 24.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.464 HG22 HG13 ' A' ' 142' ' ' VAL . 75.5 t -71.12 123.59 25.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.133 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.408 ' CE1' ' HB2' ' A' ' 87' ' ' HIS . 34.5 m-85 -136.23 133.38 36.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.006 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -109.23 140.6 15.73 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.498 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.831 HD21 ' HG2' ' A' ' 81' ' ' PRO . 1.9 tm? -157.47 112.41 2.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.865 0.364 . . . . 0.0 110.904 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.446 ' N ' HD13 ' A' ' 107' ' ' LEU . . . -132.44 140.07 48.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.048 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.637 HD22 ' HB2' ' A' ' 112' ' ' GLN . 70.9 mt -80.67 102.75 10.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -65.41 -53.83 37.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -151.22 39.26 0.82 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.568 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.637 ' HB2' HD22 ' A' ' 109' ' ' LEU . 13.3 mm100 -98.1 -178.18 3.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.869 0.366 . . . . 0.0 110.942 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 21.2 p -71.04 144.93 90.77 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.548 0.689 . . . . 0.0 111.166 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 172.58 12.44 Favored 'Trans proline' 0 C--N 1.34 0.116 0 C-N-CA 122.699 2.266 . . . . 0.0 112.248 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.689 HG21 ' HB1' ' A' ' 77' ' ' ALA . 7.9 p -99.42 -45.79 12.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.501 ' N ' HG13 ' A' ' 115' ' ' VAL . 34.9 p 44.3 29.0 0.33 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.111 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 32.3 m -142.8 137.81 29.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.578 ' O ' HG13 ' A' ' 118' ' ' VAL . 4.2 p -174.3 119.2 0.35 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.567 0.698 . . . . 0.0 111.177 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 170.28 16.94 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.662 2.241 . . . . 0.0 112.316 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 3.36 2.84 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.618 2.212 . . . . 0.0 112.402 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -103.91 -2.79 45.88 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.556 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.43 ' HB3' HG22 ' A' ' 118' ' ' VAL . . . -124.4 170.55 10.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.73 0.3 . . . . 0.0 111.167 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.435 ' NH1' ' HB2' ' A' ' 123' ' ' ARG . 1.1 ptm85 -151.94 134.96 15.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.84 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' TRP . . . . . 0.469 ' NE1' HD13 ' A' ' 37' ' ' LEU . 21.4 m95 -102.73 106.91 17.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.934 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.556 HD21 HD22 ' A' ' 38' ' ' LEU . 2.3 pp -125.38 169.85 11.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.938 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . 0.556 HG22 ' HG3' ' A' ' 35' ' ' GLN . 7.7 p -90.7 160.91 15.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -46.73 -48.47 20.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -56.71 -47.99 78.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -59.76 -42.18 92.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.646 ' CE1' HG21 ' A' ' 135' ' ' VAL . 48.3 t80 -53.86 -50.24 66.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.84 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 33.5 m-70 -49.22 -51.04 35.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 71.9 p -70.56 -18.06 62.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 130' ' ' PHE . . . -69.95 147.54 50.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.129 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -71.76 96.75 1.66 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.646 HG21 ' CE1' ' A' ' 130' ' ' PHE . 1.9 t -130.31 145.78 35.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 13.7 p -69.47 151.57 45.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 18.5 m -46.23 -56.3 5.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -39.78 -62.12 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' MET . . . . . 0.599 ' HB2' HG12 ' A' ' 135' ' ' VAL . 28.2 mmm -59.59 -50.42 73.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.419 ' CG ' ' HB ' ' A' ' 135' ' ' VAL . 12.1 mtpt -53.2 -21.22 4.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.446 ' O ' HG23 ' A' ' 145' ' ' VAL . 31.0 mttp -86.19 -27.72 24.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.464 HG13 HG22 ' A' ' 104' ' ' VAL . 84.4 t -66.2 -20.8 27.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.114 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.423 ' CE2' ' NE2' ' A' ' 147' ' ' GLN . 68.0 t80 -77.02 -59.14 2.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -51.68 -31.07 24.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.83 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 141' ' ' LYS . 95.6 t -77.25 -30.76 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.093 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -72.99 -34.55 66.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . 0.423 ' NE2' ' CE2' ' A' ' 143' ' ' PHE . 27.7 mt-30 -64.7 -50.77 65.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -118.54 80.5 0.31 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.546 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . 0.685 ' CB ' HD22 ' A' ' 88' ' ' LEU . 1.8 pp0? -55.47 -51.02 68.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.806 0.336 . . . . 0.0 110.934 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . 0.519 ' N ' ' CD ' ' A' ' 149' ' ' GLN . 20.9 m -40.72 -50.89 3.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 130.33 -154.19 20.5 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.554 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 166.91 26.13 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.621 2.214 . . . . 0.0 112.364 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 69.8 p -159.64 -175.84 5.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 4.5 t -127.06 175.59 8.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.892 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.458 -179.988 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.3 p -140.98 114.25 8.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.91 0.386 . . . . 0.0 110.82 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -54.73 153.39 6.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.82 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.0 148.37 7.94 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.473 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.9 t -159.51 132.62 6.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.91 0.386 . . . . 0.0 110.873 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.9 m -98.14 75.41 2.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.821 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.22 -154.54 24.43 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.447 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 118.49 5.71 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.712 2.275 . . . . 0.0 112.37 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 11' ' ' ALA . 22.0 mmt180 -48.45 -74.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.814 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.418 ' HG2' ' N ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -39.39 -27.44 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 9' ' ' ARG . . . -121.03 73.96 1.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.071 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.0 m -80.75 -51.54 8.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.9 mtt180 -80.07 -38.38 31.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.401 ' O ' ' HB1' ' A' ' 11' ' ' ALA . 14.8 mttt -100.68 162.65 20.05 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.555 0.693 . . . . 0.0 110.896 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 169.83 18.08 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.69 2.26 . . . . 0.0 112.306 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.8 Cg_endo -69.68 -24.88 29.55 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.682 2.254 . . . . 0.0 112.348 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 16' ' ' PRO . 39.7 mtt180 -37.9 -63.77 0.45 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -79.08 100.29 7.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.798 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -146.62 113.44 6.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.94 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.404 ' C ' ' HB2' ' A' ' 58' ' ' TRP . 48.3 m -123.3 142.91 50.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.3 m -150.3 157.31 42.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.804 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.408 ' HB3' ' NE2' ' A' ' 65' ' ' GLN . . . -123.37 107.38 11.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.096 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.553 HG23 HG11 ' A' ' 142' ' ' VAL . 9.5 t -104.4 147.52 27.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.147 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 43.1 t -130.94 153.26 49.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 98.0 t -101.31 125.72 55.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.107 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.712 HD13 HD11 ' A' ' 80' ' ' LEU . 47.2 tp -107.46 106.64 17.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.44 ' OE2' ' C ' ' A' ' 35' ' ' GLN . 3.1 tp10 -118.09 143.64 46.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.531 ' HG2' ' CZ3' ' A' ' 124' ' ' TRP . 1.3 pt20 -149.56 141.04 14.65 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.571 0.7 . . . . 0.0 110.915 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 132.32 22.95 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.62 2.214 . . . . 0.0 112.298 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -107.69 -138.42 8.69 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.464 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.85 -51.59 6.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.848 0.356 . . . . 0.0 111.119 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.1 mt -79.24 -40.56 30.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -164.67 -93.2 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.493 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -156.22 159.47 38.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.725 0.298 . . . . 0.0 111.131 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.44 ' C ' ' OE2' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -150.38 146.36 26.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.401 ' CG2' ' HB2' ' A' ' 27' ' ' GLU . 3.4 pt -98.47 176.78 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.569 HD13 ' NE1' ' A' ' 124' ' ' TRP . 11.8 tp -109.47 147.61 32.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' A' ' 38' ' ' LEU . 9.9 tp -142.57 122.32 13.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 31.3 m -106.48 158.89 6.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.095 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -124.34 122.4 37.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.424 ' NH1' ' HG3' ' A' ' 52' ' ' GLU . 9.1 mpt_? -64.03 157.72 67.35 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.654 0.74 . . . . 0.0 110.864 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.511 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 53.3 Cg_endo -69.72 -167.75 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.721 2.281 . . . . 0.0 112.341 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -80.14 55.04 2.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.96 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.7 p -50.39 -57.01 8.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.462 ' H ' ' HB2' ' A' ' 48' ' ' ALA . . . -174.47 -135.4 2.04 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.507 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 28.0 mt -47.36 -75.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.876 0.37 . . . . 0.0 110.969 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.9 tp -81.94 79.54 8.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.511 ' HB1' ' O ' ' A' ' 42' ' ' PRO . . . -130.5 165.89 21.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.059 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.66 32.29 81.0 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.496 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.402 ' CD2' ' O ' ' A' ' 48' ' ' ALA . 4.5 mm? -107.42 136.26 47.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.368 . . . . 0.0 110.887 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.471 ' CZ3' ' HG2' ' A' ' 123' ' ' ARG . 86.1 m95 -71.95 133.95 45.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.904 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.424 ' HG3' ' NH1' ' A' ' 41' ' ' ARG . 3.6 pt-20 -170.3 165.69 8.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.689 ' CZ ' ' CE1' ' A' ' 130' ' ' PHE . 19.6 m-85 -70.12 148.19 95.87 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.618 0.723 . . . . 0.0 110.816 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 142.59 48.21 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.633 2.222 . . . . 0.0 112.338 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.1 p -144.23 159.17 43.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.408 HG12 ' HB2' ' A' ' 72' ' ' GLU . 8.9 m -124.51 176.55 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 21.3 p -61.43 144.03 54.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.163 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.404 ' HB2' ' C ' ' A' ' 20' ' ' SER . 86.7 t90 -63.54 141.81 58.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.914 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -124.11 135.04 25.91 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.588 0.708 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -28.57 25.22 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.628 2.219 . . . . 0.0 112.369 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.528 ' HB2' HD22 ' A' ' 64' ' ' LEU . 3.1 t -92.51 151.65 20.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -70.49 -30.07 66.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 47.0 tp60 -81.7 -61.28 1.97 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.528 HD22 ' HB2' ' A' ' 61' ' ' SER . 1.0 OUTLIER -39.19 -41.99 0.92 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.957 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.408 ' NE2' ' HB3' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -55.24 -52.01 64.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.889 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.3 mtp180 -68.06 -49.19 62.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -45.69 -57.6 4.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.924 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.75 -49.32 47.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.1 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 31.6 tp -40.77 -45.25 2.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.58 HD22 ' HB3' ' A' ' 80' ' ' LEU . 86.1 mt -69.76 -51.11 36.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.843 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.406 ' HA ' ' NE2' ' A' ' 74' ' ' GLN . 20.3 mm-40 -36.94 -42.02 0.37 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.408 ' HB2' HG12 ' A' ' 56' ' ' VAL . 3.2 tp10 -69.06 -55.91 9.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 37.4 mt -45.55 -47.39 14.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.406 ' NE2' ' HA ' ' A' ' 71' ' ' GLN . 37.9 mt-30 -52.8 -43.41 65.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 64.9 mtp180 -51.36 -34.11 32.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 82.2 m95 -87.08 -70.91 0.58 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.56 ' HB1' HG21 ' A' ' 115' ' ' VAL . . . -77.98 -71.67 0.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 147.18 -99.04 0.2 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.559 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 108.25 2.03 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.67 2.247 . . . . 0.0 112.338 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.712 HD11 HD13 ' A' ' 26' ' ' LEU . 4.3 mm? -120.66 133.24 24.03 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.599 0.714 . . . . 0.0 110.932 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.812 ' HG2' HD21 ' A' ' 107' ' ' LEU . 53.1 Cg_endo -69.8 174.6 9.3 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.668 2.245 . . . . 0.0 112.369 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -118.57 -52.63 2.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.094 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 85.3 m -66.2 -49.79 66.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.166 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -41.56 -43.74 2.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.824 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.503 ' CA ' HD23 ' A' ' 107' ' ' LEU . 37.3 tp -52.08 134.42 32.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 56.7 mtt180 -154.97 136.91 14.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.477 ' O ' HD23 ' A' ' 88' ' ' LEU . 16.6 t-80 -75.31 124.09 26.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.817 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.722 HD13 ' HB3' ' A' ' 149' ' ' GLN . 40.8 mt -128.42 91.85 3.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 74.74 -172.78 52.62 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.51 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -150.12 170.93 17.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.845 0.355 . . . . 0.0 110.902 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.501 HG23 ' CG2' ' A' ' 104' ' ' VAL . 75.2 t -139.14 106.15 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.178 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 73.2 t -120.7 102.61 12.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.134 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 58.2 t60 -98.18 108.54 21.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.853 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 38.3 m -81.52 108.05 14.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.151 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -82.68 178.23 8.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.861 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 12.8 t -48.96 -69.46 0.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.528 ' CD2' HG13 ' A' ' 98' ' ' ILE . 0.4 OUTLIER -118.0 29.69 7.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.528 HG13 ' CD2' ' A' ' 97' ' ' HIS . 63.9 mt -146.8 144.58 20.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.409 ' C ' ' HD2' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -127.83 116.52 20.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.877 179.825 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -103.51 146.16 28.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 94.1 m -132.48 97.66 4.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.085 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -98.83 144.77 27.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -106.46 115.35 30.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.95 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.627 HG22 HG13 ' A' ' 142' ' ' VAL . 84.2 t -74.69 124.39 32.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.2 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.47 ' CE1' ' HB2' ' A' ' 87' ' ' HIS . 42.4 m-85 -131.89 134.92 46.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.963 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -109.72 131.79 10.68 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.466 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.812 HD21 ' HG2' ' A' ' 81' ' ' PRO . 1.4 tm? -147.6 119.96 8.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.814 0.34 . . . . 0.0 110.956 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.615 ' N ' HD13 ' A' ' 107' ' ' LEU . . . -137.97 150.91 47.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 57.6 mt -93.52 103.05 15.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -39.05 -44.75 1.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 148.44 62.36 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.53 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -105.53 -71.44 0.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.931 0.396 . . . . 0.0 110.91 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 38.2 p -147.51 139.97 14.38 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.582 0.706 . . . . 0.0 111.103 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 172.38 12.66 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.699 2.266 . . . . 0.0 112.36 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.56 HG21 ' HB1' ' A' ' 77' ' ' ALA . 7.7 p -96.86 -42.49 11.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.421 ' N ' HG13 ' A' ' 115' ' ' VAL . 30.6 p 43.52 31.34 0.42 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.138 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 24.4 m -143.71 129.96 19.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.571 ' CG2' ' HB3' ' A' ' 122' ' ' ALA . 8.1 p -171.93 127.7 0.6 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.681 0.753 . . . . 0.0 111.075 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 169.75 18.2 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.754 2.303 . . . . 0.0 112.306 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 2.65 3.35 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.67 2.246 . . . . 0.0 112.311 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -109.01 15.08 33.83 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.512 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.571 ' HB3' ' CG2' ' A' ' 118' ' ' VAL . . . -138.73 169.94 16.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.737 0.303 . . . . 0.0 111.117 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.493 ' NE ' HD23 ' A' ' 125' ' ' LEU . 10.9 ptm180 -151.98 141.53 21.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' TRP . . . . . 0.569 ' NE1' HD13 ' A' ' 37' ' ' LEU . 29.3 m95 -107.91 109.74 21.33 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.493 HD23 ' NE ' ' A' ' 123' ' ' ARG . 0.9 OUTLIER -124.83 169.81 11.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 18.5 p -80.39 170.74 15.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -53.74 -54.69 34.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -57.51 -53.53 57.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -42.08 -46.33 4.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.689 ' CE1' ' CZ ' ' A' ' 53' ' ' PHE . 15.6 t80 -53.23 -53.76 45.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.849 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -43.2 -57.29 3.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 23.4 p -62.14 -50.92 69.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.138 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -36.48 153.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.104 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -71.9 99.21 2.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.083 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.59 HG12 ' HB2' ' A' ' 139' ' ' MET . 3.4 t -130.03 138.76 53.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.159 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 48.4 p -66.76 156.25 35.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.689 HG22 ' HD2' ' A' ' 141' ' ' LYS . 24.9 m -48.0 -57.48 5.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.08 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -43.0 -70.3 0.11 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.082 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' MET . . . . . 0.59 ' HB2' HG12 ' A' ' 135' ' ' VAL . 32.0 mmm -49.8 -48.51 50.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.453 ' CG ' ' HB ' ' A' ' 135' ' ' VAL . 57.4 mttt -52.26 -31.95 34.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.689 ' HD2' HG22 ' A' ' 137' ' ' THR . 33.7 mtpt -74.09 -43.17 58.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.948 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.627 HG13 HG22 ' A' ' 104' ' ' VAL . 60.4 t -50.73 -27.64 5.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -73.19 -70.75 0.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -43.27 -33.74 1.03 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 141' ' ' LYS . 72.0 t -70.22 -39.38 76.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.068 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -72.69 -42.01 64.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -40.68 -62.04 0.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.961 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -93.62 118.35 5.68 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.525 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . 0.722 ' HB3' HD13 ' A' ' 88' ' ' LEU . 7.1 pt20 -127.98 130.07 47.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.843 0.354 . . . . 0.0 110.856 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 25.7 p -76.34 94.87 3.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -142.98 -176.88 17.46 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.523 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.9 141.25 44.17 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.661 2.24 . . . . 0.0 112.304 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 69.6 m -79.05 -55.3 5.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 44.5 p -154.15 132.07 11.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.851 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.468 -179.965 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -140.32 135.68 32.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.889 0.376 . . . . 0.0 110.852 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -145.92 146.25 30.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.28 -137.89 2.64 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.476 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.9 p -116.53 163.07 16.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.912 0.386 . . . . 0.0 110.831 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.412 ' HB3' ' NH1' ' A' ' 41' ' ' ARG . 17.3 m -87.16 42.16 1.02 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.41 87.45 0.43 Allowed Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.469 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 0.53 5.45 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.726 2.284 . . . . 0.0 112.338 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.7 tpp180 -77.94 -49.8 13.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.6 pttt -73.38 -19.3 61.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.489 ' HB1' ' HE ' ' A' ' 13' ' ' ARG . . . -69.22 117.41 10.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.085 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.6 m -100.49 -35.52 9.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.489 ' HE ' ' HB1' ' A' ' 11' ' ' ALA . 2.1 ppt_? -40.74 -32.18 0.2 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.888 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.462 ' N ' ' HD2' ' A' ' 13' ' ' ARG . 16.5 mmtm -138.68 146.11 49.09 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.565 0.698 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 146.23 59.96 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.745 2.297 . . . . 0.0 112.339 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -30.77 21.75 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.743 2.295 . . . . 0.0 112.33 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -38.73 -65.35 0.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -85.85 100.33 11.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -143.51 113.46 7.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.0 m -121.91 144.78 48.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.5 m -148.98 158.22 44.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.411 ' HB2' ' CD ' ' A' ' 65' ' ' GLN . . . -113.25 113.02 24.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.071 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.519 HG21 HG21 ' A' ' 142' ' ' VAL . 2.3 t -108.99 146.29 34.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.17 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.543 ' HB2' HD21 ' A' ' 69' ' ' LEU . 1.6 t -131.99 156.77 45.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.429 ' N ' ' SG ' ' A' ' 24' ' ' CYS . 47.1 t -107.89 99.65 9.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.141 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.1 tp -86.4 110.26 19.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.483 ' HB2' HG22 ' A' ' 36' ' ' ILE . 22.9 tt0 -122.55 151.37 41.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.459 ' NE2' ' HA ' ' A' ' 114' ' ' PRO . 9.6 tt0 -140.28 138.24 18.88 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.601 0.715 . . . . 0.0 110.945 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 125.42 12.12 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.728 2.285 . . . . 0.0 112.339 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -113.6 -97.85 2.28 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.447 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -127.95 -73.2 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.837 0.351 . . . . 0.0 111.117 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.5 mt -57.24 -39.71 76.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.923 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -167.39 -80.91 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.511 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -166.92 166.37 15.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.749 0.309 . . . . 0.0 111.094 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.413 ' CG ' HG22 ' A' ' 126' ' ' THR . 11.1 mt-30 -136.28 138.0 41.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.483 HG22 ' HB2' ' A' ' 27' ' ' GLU . 6.4 pt -103.83 172.8 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.5 tp -108.3 140.14 41.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.532 ' CD2' HD21 ' A' ' 125' ' ' LEU . 10.4 tp -137.34 125.6 23.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.645 HG11 ' CE2' ' A' ' 76' ' ' TRP . 34.9 m -111.38 131.76 61.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.42 ' HB2' ' CZ3' ' A' ' 51' ' ' TRP . 29.9 tt0 -71.21 160.05 33.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.412 ' NH1' ' HB3' ' A' ' 6' ' ' SER . 2.6 mmp_? -104.3 152.85 39.31 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.563 0.697 . . . . 0.0 110.869 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 159.66 52.58 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.653 2.236 . . . . 0.0 112.363 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -77.46 91.73 3.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.2 t -129.58 83.2 2.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.649 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . 57.18 -147.16 35.27 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.494 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 11.7 mt -39.46 159.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.942 0.401 . . . . 0.0 110.833 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.0 mp 42.83 46.65 4.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.649 ' HB2' ' O ' ' A' ' 45' ' ' GLY . . . -88.91 115.95 26.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 88.53 52.24 2.89 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -116.75 140.17 49.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.33 . . . . 0.0 110.941 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.482 ' O ' HG13 ' A' ' 135' ' ' VAL . 82.4 m95 -88.85 133.21 34.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.405 ' CB ' ' HG3' ' A' ' 139' ' ' MET . 5.6 pt-20 -160.7 157.7 27.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.614 ' CZ ' ' CE2' ' A' ' 130' ' ' PHE . 15.8 m-85 -56.25 146.31 52.62 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.636 0.731 . . . . 0.0 110.903 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 143.99 52.45 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.724 2.283 . . . . 0.0 112.304 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.2 p -145.68 160.85 41.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.9 m -124.37 175.97 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.143 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.7 p -58.88 135.5 57.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.47 ' CG ' ' N ' ' A' ' 59' ' ' GLU . 80.2 t90 -60.54 165.62 3.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.862 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.47 ' N ' ' CG ' ' A' ' 58' ' ' TRP . 5.9 mm-40 -148.69 139.69 13.75 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.715 0.769 . . . . 0.0 110.825 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -17.47 37.72 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.625 2.217 . . . . 0.0 112.37 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.4 t -103.94 155.47 18.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -78.54 -23.77 46.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -86.68 -48.58 8.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.3 mp -55.99 -34.2 65.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.411 ' CD ' ' HB2' ' A' ' 22' ' ' ALA . 8.4 tp60 -61.02 -54.56 43.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.464 ' HG2' HD23 ' A' ' 85' ' ' LEU . 57.1 mtp180 -63.33 -38.71 92.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.861 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.2 mtmt -49.87 -65.28 0.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.942 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.76 -37.24 86.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.603 HD23 HD21 ' A' ' 85' ' ' LEU . 22.5 tp -44.13 -60.93 1.66 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.63 HD22 ' HB3' ' A' ' 80' ' ' LEU . 86.0 mt -62.83 -48.4 79.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 70' ' ' LEU . 35.8 mm-40 -35.19 -38.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.941 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -79.51 -54.09 6.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.466 HD12 HD23 ' A' ' 70' ' ' LEU . 30.7 mt -42.68 -49.52 5.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -50.43 -44.73 55.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -51.8 -32.76 32.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.851 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.84 ' CE3' ' HB2' ' A' ' 122' ' ' ALA . 89.9 m95 -84.58 -71.35 0.52 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.437 ' CA ' HG21 ' A' ' 115' ' ' VAL . . . -80.51 -70.05 0.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.04 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 149.47 -99.79 0.2 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.542 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.469 ' O ' HD22 ' A' ' 80' ' ' LEU . 52.8 Cg_endo -69.8 111.42 2.81 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.701 2.267 . . . . 0.0 112.304 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.63 ' HB3' HD22 ' A' ' 70' ' ' LEU . 4.3 mm? -125.03 134.4 25.68 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.627 0.727 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.875 ' HG2' HD21 ' A' ' 107' ' ' LEU . 53.2 Cg_endo -69.84 -173.93 0.82 Allowed 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.609 2.206 . . . . 0.0 112.264 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -131.26 -69.25 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.115 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 51.5 m -55.76 -34.99 65.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.198 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -54.04 -37.26 63.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.603 HD21 HD23 ' A' ' 69' ' ' LEU . 10.4 tp -61.35 119.86 9.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.956 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.7 tpp180 -127.43 138.85 53.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -71.13 122.85 20.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 38.5 mt -127.56 93.27 3.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.945 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 58.92 -174.32 3.28 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.457 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -142.54 170.57 15.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.903 0.382 . . . . 0.0 110.836 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.468 HG23 ' CG2' ' A' ' 104' ' ' VAL . 54.4 t -139.19 104.99 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.131 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.469 HG22 HG23 ' A' ' 101' ' ' THR . 45.1 t -115.68 113.43 43.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.524 ' CD2' ' N ' ' A' ' 94' ' ' THR . 7.4 t60 -106.81 156.06 19.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.524 ' N ' ' CD2' ' A' ' 93' ' ' HIS . 24.7 m -125.63 123.15 38.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.167 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.524 ' CE1' ' CD2' ' A' ' 93' ' ' HIS . 39.4 m-85 -109.15 -178.33 3.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.54 ' O ' ' N ' ' A' ' 98' ' ' ILE . 65.3 m -53.39 127.57 25.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.824 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.582 ' O ' ' CG ' ' A' ' 97' ' ' HIS . 0.7 OUTLIER 34.42 30.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.81 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.552 HG22 ' N ' ' A' ' 99' ' ' LYS . 36.1 mt -145.38 159.89 12.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.552 ' N ' HG22 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -142.21 131.04 22.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.852 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.422 HD22 ' O ' ' A' ' 99' ' ' LYS . 2.8 mm? -119.47 149.76 41.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.971 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.469 HG23 HG22 ' A' ' 92' ' ' VAL . 18.3 m -138.36 115.09 10.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.171 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -114.05 138.82 49.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -101.75 115.97 31.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.468 ' CG2' HG23 ' A' ' 91' ' ' VAL . 60.1 t -70.6 127.15 32.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.074 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.504 ' HB3' HD11 ' A' ' 85' ' ' LEU . 13.4 m-85 -136.05 108.64 7.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.944 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -84.84 133.93 12.22 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.468 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.875 HD21 ' HG2' ' A' ' 81' ' ' PRO . 1.8 tm? -150.55 112.16 4.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.866 0.365 . . . . 0.0 110.894 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.47 ' N ' HD13 ' A' ' 107' ' ' LEU . . . -129.73 137.97 50.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.129 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 60.8 mt -73.85 114.98 12.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.966 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -50.42 -18.07 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 117.61 51.01 0.35 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.527 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -91.72 -64.38 1.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.897 0.379 . . . . 0.0 110.943 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 11.8 p -154.41 141.43 13.42 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.587 0.708 . . . . 0.0 111.182 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.459 ' HA ' ' NE2' ' A' ' 28' ' ' GLN . 53.3 Cg_endo -69.73 -175.03 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.722 2.282 . . . . 0.0 112.34 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.455 ' O ' ' C ' ' A' ' 116' ' ' THR . 8.4 p -119.98 -40.42 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.142 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.455 ' C ' ' O ' ' A' ' 115' ' ' VAL . 20.7 p 33.76 42.9 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.076 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 24.7 m -162.06 119.89 2.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.876 ' CG2' ' HB3' ' A' ' 122' ' ' ALA . 11.1 p -142.93 137.19 14.76 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.568 0.699 . . . . 0.0 111.133 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.559 ' HD2' HG23 ' A' ' 118' ' ' VAL . 53.7 Cg_endo -69.78 166.53 27.3 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.688 2.259 . . . . 0.0 112.355 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 95.85 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.654 2.236 . . . . 0.0 112.329 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 145.51 -7.45 1.54 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.428 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.876 ' HB3' ' CG2' ' A' ' 118' ' ' VAL . . . -111.59 163.81 13.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.772 0.32 . . . . 0.0 111.126 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.612 ' HD3' HD23 ' A' ' 125' ' ' LEU . 11.9 ttm180 -146.2 138.84 25.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 29.1 m95 -107.22 101.12 10.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.807 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.612 HD23 ' HD3' ' A' ' 123' ' ' ARG . 2.4 pp -118.75 169.85 9.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . 0.413 HG22 ' CG ' ' A' ' 35' ' ' GLN . 6.7 p -84.69 166.57 16.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.196 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -51.49 -53.98 31.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.972 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -54.85 -50.45 68.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.817 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -47.63 -56.92 6.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.838 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.614 ' CE2' ' CZ ' ' A' ' 53' ' ' PHE . 10.2 t80 -38.89 -61.27 0.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.93 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . 0.421 ' C ' ' O ' ' A' ' 130' ' ' PHE . 3.1 m-70 -36.85 -62.09 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 63.1 p -57.19 -38.48 73.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.091 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 130' ' ' PHE . . . -49.52 157.12 0.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -76.8 98.57 4.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.041 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.806 HG12 ' HB2' ' A' ' 139' ' ' MET . 1.1 t -129.29 145.91 35.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 14.7 t -74.13 154.69 39.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 98.7 m -41.95 -66.73 0.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.147 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.413 ' O ' HG11 ' A' ' 91' ' ' VAL . . . -38.3 -62.57 0.57 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' MET . . . . . 0.806 ' HB2' HG12 ' A' ' 135' ' ' VAL . 45.4 mmm -50.45 -52.84 34.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 32.5 mttt -49.69 -28.08 5.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.76 ' O ' HG23 ' A' ' 145' ' ' VAL . 0.5 OUTLIER -80.56 -25.84 38.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.808 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.519 HG21 HG21 ' A' ' 23' ' ' THR . 20.6 t -65.6 -26.4 38.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.12 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.614 ' CE2' ' NE2' ' A' ' 147' ' ' GLN . 56.9 t80 -79.02 -61.07 2.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.423 ' HB3' ' NH1' ' A' ' 144' ' ' ARG . 0.6 OUTLIER -48.74 -37.03 17.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.915 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.76 HG23 ' O ' ' A' ' 141' ' ' LYS . 90.8 t -66.34 -37.49 79.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.076 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -73.61 -32.77 64.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.973 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . 0.614 ' NE2' ' CE2' ' A' ' 143' ' ' PHE . 8.3 mt-30 -74.58 -11.12 60.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.913 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -47.65 -77.23 0.11 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.388 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -55.48 -43.91 76.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.817 0.341 . . . . 0.0 110.901 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 4.0 m -40.29 133.6 1.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.832 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -153.12 83.8 0.16 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.512 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 146.92 61.47 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.637 2.224 . . . . 0.0 112.301 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 24.5 p -99.61 139.22 35.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.819 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 34.2 t -92.38 82.99 4.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.831 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.468 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.6 t -91.54 116.18 28.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.87 0.367 . . . . 0.0 110.867 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 t -161.39 118.23 2.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.2 160.02 27.15 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.425 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t -86.67 149.85 24.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.85 0.357 . . . . 0.0 110.895 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.4 p -78.57 -42.76 28.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.797 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.01 -83.97 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.423 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 112.08 2.99 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.601 2.2 . . . . 0.0 112.351 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -77.08 77.19 3.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.825 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -143.87 158.47 43.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.04 -42.79 73.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.071 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.0 p -93.34 174.9 6.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.7 ppt_? -86.33 22.06 1.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? -61.36 154.93 60.84 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.563 0.697 . . . . 0.0 110.871 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.79 169.61 18.56 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.661 2.241 . . . . 0.0 112.379 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.4 Cg_endo -69.78 -29.53 23.62 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.684 2.256 . . . . 0.0 112.33 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 16' ' ' PRO . 12.9 mmm180 -34.41 -66.35 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -84.51 102.37 12.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -144.45 113.31 6.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.839 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.572 ' HB3' ' CD1' ' A' ' 58' ' ' TRP . 68.2 m -112.77 148.77 34.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.41 ' OG ' ' CE2' ' A' ' 102' ' ' TYR . 8.9 p -150.67 152.07 33.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.875 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.432 ' HB2' ' CD ' ' A' ' 65' ' ' GLN . . . -121.72 104.67 9.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.641 HG21 HG21 ' A' ' 142' ' ' VAL . 6.8 t -105.49 148.83 26.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.2 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.619 ' HB2' HD21 ' A' ' 69' ' ' LEU . 42.4 t -134.18 151.04 51.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.3 t -94.92 131.22 42.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.427 HD13 HD11 ' A' ' 80' ' ' LEU . 39.9 tp -115.52 111.0 20.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.492 ' HB2' HG22 ' A' ' 36' ' ' ILE . 30.6 tt0 -121.04 154.0 36.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.502 ' NE2' HD12 ' A' ' 109' ' ' LEU . 1.0 OUTLIER -141.56 124.43 9.58 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.625 0.726 . . . . 0.0 110.878 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 118.97 6.0 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.717 2.278 . . . . 0.0 112.331 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -112.26 -145.5 9.74 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.54 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.05 -54.06 5.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.912 0.387 . . . . 0.0 111.151 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.2 mt -60.59 -50.54 73.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.975 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.03 -79.75 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.488 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.92 150.32 15.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.702 0.287 . . . . 0.0 111.175 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.429 ' HG3' ' C ' ' A' ' 125' ' ' LEU . 5.6 tt0 -139.94 138.19 35.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.874 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.526 HG23 HE21 ' A' ' 127' ' ' GLN . 3.9 pt -104.05 174.99 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.494 HD11 ' HB1' ' A' ' 122' ' ' ALA . 13.0 tp -108.02 151.42 25.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.456 ' CD2' HD21 ' A' ' 125' ' ' LEU . 10.2 tp -144.36 120.75 10.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.423 HG11 ' CE2' ' A' ' 76' ' ' TRP . 33.9 m -105.4 146.7 12.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -121.39 121.42 37.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.15 159.28 11.43 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.631 0.729 . . . . 0.0 110.897 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.521 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 53.5 Cg_endo -69.8 175.91 7.5 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.668 2.245 . . . . 0.0 112.32 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -79.14 52.3 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 71.8 m -116.41 79.59 1.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 134.27 164.65 10.69 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.548 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 13.0 mt -65.91 -53.97 32.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.809 0.338 . . . . 0.0 110.904 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.562 HD23 ' O ' ' A' ' 47' ' ' LEU . 1.5 tt -89.49 40.24 0.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.521 ' HB1' ' O ' ' A' ' 42' ' ' PRO . . . -103.65 166.5 10.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.078 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.65 27.03 59.74 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.41 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -106.07 136.5 45.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.782 0.325 . . . . 0.0 110.882 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.57 ' CZ3' ' HB3' ' A' ' 123' ' ' ARG . 98.7 m95 -70.13 131.05 43.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.96 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -167.46 161.97 14.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.939 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.667 ' CZ ' ' CE2' ' A' ' 130' ' ' PHE . 14.1 m-85 -66.42 152.37 94.7 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.677 0.751 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.82 142.78 48.6 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.672 2.248 . . . . 0.0 112.267 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.4 p -140.62 159.86 41.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.804 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.442 HG11 ' HA ' ' A' ' 69' ' ' LEU . 12.4 m -128.24 178.96 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.119 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 37.8 p -65.76 140.6 58.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.572 ' CD1' ' HB3' ' A' ' 20' ' ' SER . 89.7 t90 -64.85 151.34 45.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.512 ' OE1' HD23 ' A' ' 64' ' ' LEU . 25.3 mm-40 -140.08 136.86 17.44 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.678 0.752 . . . . 0.0 110.85 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.47 ' HA ' ' CH2' ' A' ' 58' ' ' TRP . 53.0 Cg_endo -69.86 -18.55 36.49 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.647 2.231 . . . . 0.0 112.305 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.8 m -100.74 132.84 45.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.829 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.479 ' OE1' ' N ' ' A' ' 63' ' ' GLN . 0.0 OUTLIER -54.11 -37.38 64.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.479 ' N ' ' OE1' ' A' ' 62' ' ' GLU . 25.8 tt0 -74.34 -65.48 0.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.512 HD23 ' OE1' ' A' ' 59' ' ' GLU . 10.0 mp -34.38 -41.17 0.11 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.432 ' CD ' ' HB2' ' A' ' 22' ' ' ALA . 6.2 tp60 -59.73 -49.74 76.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.478 ' CZ ' ' HB2' ' A' ' 66' ' ' ARG . 19.0 mtm105 -69.34 -32.95 72.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.7 mtpp -58.04 -52.56 65.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.79 -40.92 39.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.078 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.638 HD23 HD21 ' A' ' 85' ' ' LEU . 26.0 tp -46.18 -47.71 17.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.923 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 71' ' ' GLN . 74.5 mt -67.18 -49.63 63.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 70' ' ' LEU . 81.2 mt-30 -37.43 -52.62 1.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.976 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 75' ' ' ARG . 13.9 tt0 -61.18 -59.99 4.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 26.7 mt -38.41 -54.93 1.43 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.954 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -49.82 -40.42 41.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 72' ' ' GLU . 12.0 mmm180 -53.96 -30.88 48.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.57 ' CE3' ' HB2' ' A' ' 122' ' ' ALA . 76.3 m95 -88.3 -71.32 0.59 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -77.26 -72.43 0.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.068 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 152.1 -102.36 0.22 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.469 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.84 110.3 2.54 Favored 'Trans proline' 0 C--O 1.233 0.242 0 C-N-CA 122.71 2.273 . . . . 0.0 112.34 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.427 HD11 HD13 ' A' ' 26' ' ' LEU . 4.4 mm? -121.48 135.55 25.17 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.528 0.68 . . . . 0.0 110.979 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.854 ' HG2' HD21 ' A' ' 107' ' ' LEU . 53.5 Cg_endo -69.77 -172.06 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.631 2.221 . . . . 0.0 112.322 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -132.93 -61.74 0.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 11.4 p -60.59 -26.65 67.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.11 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -66.4 -35.24 79.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.638 HD21 HD23 ' A' ' 69' ' ' LEU . 30.9 tp -63.42 147.8 50.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.945 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -166.36 147.48 6.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.448 ' O ' HD23 ' A' ' 88' ' ' LEU . 20.7 t-80 -81.19 123.84 28.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.448 HD23 ' O ' ' A' ' 87' ' ' HIS . 34.2 mt -126.69 95.38 4.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.956 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.64 -172.76 27.54 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -150.32 171.13 17.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.891 0.377 . . . . 0.0 110.859 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 51.1 t -141.22 105.04 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 53.8 t -115.56 111.12 34.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.072 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 37.3 t60 -104.48 129.52 52.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 20.8 m -98.42 112.33 24.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.157 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -83.19 -175.55 5.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 37.4 m -49.51 -65.43 0.57 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.853 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.4 ' H ' ' CD2' ' A' ' 97' ' ' HIS . 0.5 OUTLIER -125.96 28.98 5.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.846 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 35.4 mt -143.3 147.79 19.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.128 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 29.5 tttm -127.19 112.82 15.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.874 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -99.26 144.29 28.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.951 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 54.9 m -127.48 109.54 11.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.41 ' CE2' ' OG ' ' A' ' 21' ' ' SER . 51.1 m-85 -108.9 149.52 29.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -113.89 113.33 24.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 66.4 t -72.23 128.72 35.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.066 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -133.23 147.77 51.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -119.28 136.84 12.18 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.854 HD21 ' HG2' ' A' ' 81' ' ' PRO . 1.5 tm? -156.68 116.49 3.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 0.0 110.898 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.557 ' N ' HD13 ' A' ' 107' ' ' LEU . . . -137.89 136.71 37.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.152 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.502 HD12 ' NE2' ' A' ' 28' ' ' GLN . 40.0 mt -76.88 106.63 8.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.935 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 48.2 tp10 -43.01 -41.67 3.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 150.31 56.65 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.456 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -95.69 -70.34 0.72 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.881 0.372 . . . . 0.0 110.865 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 22.1 p -151.93 135.11 9.21 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.547 0.689 . . . . 0.0 111.115 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.485 ' HA ' ' NE2' ' A' ' 28' ' ' GLN . 53.3 Cg_endo -69.81 166.92 26.02 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.68 2.253 . . . . 0.0 112.332 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.447 HG13 ' N ' ' A' ' 116' ' ' THR . 11.3 p -98.58 -41.68 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.447 ' N ' HG13 ' A' ' 115' ' ' VAL . 44.8 p 35.46 35.71 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.405 ' N ' ' O ' ' A' ' 115' ' ' VAL . 89.2 m -160.67 123.51 3.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.148 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.696 ' CG2' ' HB3' ' A' ' 122' ' ' ALA . 7.5 p -145.85 138.14 13.57 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.638 0.732 . . . . 0.0 111.136 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.616 ' HD2' HG23 ' A' ' 118' ' ' VAL . 53.0 Cg_endo -69.79 169.25 19.39 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.623 2.215 . . . . 0.0 112.302 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 110.56 2.57 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.759 2.306 . . . . 0.0 112.315 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 132.9 -22.14 4.09 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.486 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.696 ' HB3' ' CG2' ' A' ' 118' ' ' VAL . . . -103.04 141.54 35.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.774 0.321 . . . . 0.0 111.055 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.57 ' HB3' ' CZ3' ' A' ' 51' ' ' TRP . 13.6 ttm180 -123.34 143.36 50.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 27.5 m95 -109.19 103.36 12.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.938 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.456 HD21 ' CD2' ' A' ' 38' ' ' LEU . 1.1 pp -125.13 169.89 11.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 17.9 p -82.67 171.9 13.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.526 HE21 HG23 ' A' ' 36' ' ' ILE . 13.2 mp0 -58.53 -46.55 86.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.938 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -62.6 -46.62 87.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -58.53 -28.98 65.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.865 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.667 ' CE2' ' CZ ' ' A' ' 53' ' ' PHE . 4.5 t80 -69.05 -45.5 70.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -50.44 -56.23 12.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 80.6 p -64.49 -43.58 93.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.181 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.595 ' O ' HG23 ' A' ' 135' ' ' VAL . . . -45.25 147.77 0.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.113 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.64 100.72 0.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.684 HG12 ' HB2' ' A' ' 139' ' ' MET . 3.1 t -130.85 143.17 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.117 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 17.5 m -67.99 154.06 42.42 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.606 HG22 ' HE3' ' A' ' 141' ' ' LYS . 32.7 m -47.69 -57.46 5.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -50.13 -63.03 1.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' MET . . . . . 0.684 ' HB2' HG12 ' A' ' 135' ' ' VAL . 35.7 mmm -48.4 -46.78 37.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -55.24 -30.02 59.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.606 ' HE3' HG22 ' A' ' 137' ' ' THR . 52.5 mttt -75.15 -36.07 61.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.91 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.641 HG21 HG21 ' A' ' 23' ' ' THR . 49.3 t -52.61 -25.29 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -79.69 -67.4 0.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.436 ' HB3' ' NH1' ' A' ' 144' ' ' ARG . 1.3 ptp180 -43.77 -36.85 2.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 71.4 t -67.19 -46.51 84.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -60.5 -45.02 95.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' ' 148' ' ' GLY . 11.9 mm100 -55.12 -54.28 45.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 147' ' ' GLN . . . -34.72 -58.36 0.73 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.456 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . 0.408 ' HB2' HD13 ' A' ' 88' ' ' LEU . 6.8 mt-30 -84.89 92.93 8.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.844 0.354 . . . . 0.0 110.905 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 2.9 m -159.91 155.4 25.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -63.31 -178.91 4.82 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.507 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . 0.457 ' O ' ' C ' ' A' ' 153' ' ' SER . 54.0 Cg_endo -69.76 2.89 3.13 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.676 2.251 . . . . 0.0 112.335 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 152' ' ' PRO . 7.4 t -34.01 125.36 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.4 t -41.98 163.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.561 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.5 m 52.07 39.02 25.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 110.868 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 t -107.23 170.37 8.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.61 136.84 2.21 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.471 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.9 t -93.31 147.64 22.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.96 0.41 . . . . 0.0 110.789 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -112.21 141.46 45.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.851 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.409 ' HA2' ' HD2' ' A' ' 8' ' ' PRO . . . 150.41 111.24 0.54 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.517 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.409 ' HD2' ' HA2' ' A' ' 7' ' ' GLY . 53.8 Cg_endo -69.75 -9.77 26.92 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.706 2.271 . . . . 0.0 112.342 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.3 mtm180 -112.31 -49.83 2.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.12 -48.54 79.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.915 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.24 158.39 21.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.108 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.0 t -80.95 46.9 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -112.53 160.38 17.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.862 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.402 ' HE2' ' CD ' ' A' ' 15' ' ' PRO . 1.7 mmpt? -39.55 156.71 0.14 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.614 0.721 . . . . 0.0 110.838 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.402 ' CD ' ' HE2' ' A' ' 14' ' ' LYS . 53.7 Cg_endo -69.86 168.98 20.13 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.634 2.223 . . . . 0.0 112.338 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.7 Cg_endo -69.76 -30.16 22.72 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.595 2.197 . . . . 0.0 112.375 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 16' ' ' PRO . 85.9 mtt180 -36.29 -57.04 0.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -101.61 100.41 10.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -141.9 113.49 7.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.3 m -118.38 136.13 53.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.784 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.8 m -149.21 151.25 33.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.864 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.412 ' CB ' ' OE1' ' A' ' 65' ' ' GLN . . . -115.57 106.92 14.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.168 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.8 t -100.37 149.27 23.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.487 ' HB2' HD21 ' A' ' 69' ' ' LEU . 10.0 t -132.64 146.32 51.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 68.9 t -100.86 117.9 46.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.632 HD12 ' N ' ' A' ' 27' ' ' GLU . 4.2 tp -102.49 124.2 47.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.632 ' N ' HD12 ' A' ' 26' ' ' LEU . 32.5 tt0 -131.46 146.08 52.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.489 HE22 HG12 ' A' ' 115' ' ' VAL . 11.3 tt0 -144.11 136.05 13.06 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.57 0.7 . . . . 0.0 110.945 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 125.19 11.84 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.714 2.276 . . . . 0.0 112.29 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -118.71 -139.67 6.15 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.508 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.27 -58.46 3.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.863 0.363 . . . . 0.0 111.132 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.8 mt -56.19 -50.9 69.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.974 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.4 -53.68 0.15 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -162.82 152.92 16.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.7 0.286 . . . . 0.0 111.105 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -149.23 140.12 22.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.473 HD12 ' HE1' ' A' ' 53' ' ' PHE . 3.7 pt -103.29 175.74 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.9 tp -110.41 134.27 52.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.937 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.5 ' CD2' HD21 ' A' ' 125' ' ' LEU . 9.7 tp -131.62 122.73 26.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.682 HG11 ' CE2' ' A' ' 76' ' ' TRP . 34.2 m -111.37 146.44 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.21 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -99.5 163.25 12.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.946 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 -115.06 157.89 42.3 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.641 0.734 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.411 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 53.6 Cg_endo -69.74 -176.13 1.38 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.679 2.252 . . . . 0.0 112.336 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -78.6 57.68 2.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.1 t -51.55 -65.71 0.51 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.797 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.491 ' H ' ' HB2' ' A' ' 48' ' ' ALA . . . -145.47 -130.97 2.27 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.526 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.4 mt -77.62 -57.45 3.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.905 0.383 . . . . 0.0 110.918 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.4 tp -80.06 45.82 0.76 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.491 ' HB2' ' H ' ' A' ' 45' ' ' GLY . . . -105.99 177.47 4.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.094 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.53 35.66 87.01 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.436 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.436 ' CD2' ' O ' ' A' ' 48' ' ' ALA . 4.4 mm? -114.14 148.57 37.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.832 0.348 . . . . 0.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 86.4 m95 -88.67 125.89 35.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -155.33 154.78 32.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.753 ' CZ ' ' CE1' ' A' ' 130' ' ' PHE . 16.2 m-85 -56.52 151.7 28.49 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.618 0.723 . . . . 0.0 110.928 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 142.68 48.94 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.717 2.278 . . . . 0.0 112.376 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.5 p -146.31 163.63 34.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.1 m -126.38 177.15 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.104 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.6 t -67.76 150.65 48.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.459 ' CG ' ' N ' ' A' ' 59' ' ' GLU . 75.4 t90 -58.92 168.02 1.41 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.897 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.459 ' N ' ' CG ' ' A' ' 58' ' ' TRP . 5.2 mm-40 -154.37 134.56 8.07 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.698 0.761 . . . . 0.0 110.803 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -22.41 32.18 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.667 2.244 . . . . 0.0 112.347 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.2 t -103.37 131.92 50.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -56.02 -28.2 56.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -80.24 -62.25 1.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.458 ' H ' HD13 ' A' ' 64' ' ' LEU . 1.9 mp -40.78 -37.3 0.74 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.431 ' NE2' ' HA ' ' A' ' 65' ' ' GLN . 2.3 tp-100 -60.47 -54.9 39.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.86 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 40.2 mtt180 -65.88 -39.35 90.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.817 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 32.1 mtpt -53.41 -54.86 30.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.411 ' HA ' ' NE2' ' A' ' 71' ' ' GLN . . . -74.92 -32.74 61.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.118 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.487 HD21 ' HB2' ' A' ' 24' ' ' CYS . 38.7 tp -53.68 -53.71 48.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 89.4 mt -63.42 -46.45 86.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.411 ' NE2' ' HA ' ' A' ' 68' ' ' ALA . 57.8 mt-30 -38.39 -40.73 0.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -70.86 -58.09 3.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.918 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 29.9 mt -41.58 -52.12 3.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -50.28 -38.15 39.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 60.4 mtt-85 -58.31 -29.91 66.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.682 ' CE2' HG11 ' A' ' 39' ' ' VAL . 75.9 m95 -88.85 -70.23 0.66 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.508 ' HA ' HG21 ' A' ' 115' ' ' VAL . . . -82.04 -72.76 0.42 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 155.82 -102.6 0.22 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.486 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.522 ' O ' HD22 ' A' ' 80' ' ' LEU . 54.2 Cg_endo -69.75 118.89 5.95 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.667 2.245 . . . . 0.0 112.393 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.522 HD22 ' O ' ' A' ' 79' ' ' PRO . 4.3 mm? -126.42 135.22 26.89 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.637 0.732 . . . . 0.0 110.863 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.726 ' HG2' HD21 ' A' ' 107' ' ' LEU . 52.9 Cg_endo -69.81 171.92 13.64 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.672 2.248 . . . . 0.0 112.337 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -117.45 -58.99 1.98 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.067 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 51.5 p -63.18 -31.45 72.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.151 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -57.34 -40.99 79.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.42 HD21 HD23 ' A' ' 69' ' ' LEU . 14.7 tp -56.64 137.94 53.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 -157.0 139.15 14.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.83 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.577 ' HB2' ' CE1' ' A' ' 105' ' ' TYR . 18.5 t-80 -75.86 120.03 20.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.508 ' O ' HG12 ' A' ' 145' ' ' VAL . 17.9 mt -123.66 93.96 4.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.25 -170.86 29.48 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.466 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.13 171.25 16.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.945 0.403 . . . . 0.0 110.838 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 13.8 t -139.94 105.05 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.095 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.1 t -115.51 103.82 15.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.718 ' CD2' ' CE1' ' A' ' 95' ' ' PHE . 12.3 t60 -99.2 126.69 45.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.4 p -93.98 113.25 25.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.718 ' CE1' ' CD2' ' A' ' 93' ' ' HIS . 57.3 m-85 -102.54 -178.33 3.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.487 ' O ' ' CG ' ' A' ' 97' ' ' HIS . 45.3 m -47.65 107.86 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.487 ' CG ' ' O ' ' A' ' 96' ' ' SER . 19.5 p-80 44.02 36.61 1.49 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.417 HG13 ' C ' ' A' ' 97' ' ' HIS . 23.9 mt -143.28 142.98 25.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.065 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 34.1 tttt -127.59 112.36 14.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -98.76 142.26 30.53 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 20.5 m -122.4 97.79 5.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.188 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -101.96 131.84 48.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.982 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 -99.67 113.42 25.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.561 HG13 HG13 ' A' ' 142' ' ' VAL . 59.0 t -73.69 125.21 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.161 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.577 ' CE1' ' HB2' ' A' ' 87' ' ' HIS . 27.9 m-85 -136.74 120.11 16.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.939 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -92.74 143.62 16.6 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.726 HD21 ' HG2' ' A' ' 81' ' ' PRO . 0.4 OUTLIER -154.82 114.62 3.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.769 0.319 . . . . 0.0 110.903 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.627 ' N ' HD13 ' A' ' 107' ' ' LEU . . . -127.43 146.6 50.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.169 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.416 HD21 ' HD3' ' A' ' 81' ' ' PRO . 71.7 mt -92.68 115.45 28.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -63.23 -46.78 85.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 163.53 45.59 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.51 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -84.06 -71.76 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.847 0.356 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 22.6 p -151.36 128.73 5.61 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.614 0.721 . . . . 0.0 111.11 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -178.85 2.53 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.649 2.233 . . . . 0.0 112.315 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.532 HG22 ' O ' ' A' ' 117' ' ' THR . 7.1 p -120.53 -44.89 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.179 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.465 ' N ' HG13 ' A' ' 115' ' ' VAL . 33.9 p 38.25 33.21 0.06 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.532 ' O ' HG22 ' A' ' 115' ' ' VAL . 4.3 t -165.33 148.82 8.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.639 ' CG2' ' HB3' ' A' ' 122' ' ' ALA . 6.4 p -157.26 137.5 8.91 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.644 0.735 . . . . 0.0 111.11 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.613 ' HD2' HG23 ' A' ' 118' ' ' VAL . 53.6 Cg_endo -69.74 169.17 19.5 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.662 2.241 . . . . 0.0 112.356 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.87 112.91 3.22 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.617 2.211 . . . . 0.0 112.362 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 128.23 -9.36 6.62 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.53 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.669 ' HB2' ' CE3' ' A' ' 76' ' ' TRP . . . -118.45 156.61 28.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.805 0.336 . . . . 0.0 111.116 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.45 ' NE ' HD23 ' A' ' 125' ' ' LEU . 11.7 ptm180 -140.99 144.87 35.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 28.9 m95 -109.95 111.44 22.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.5 HD21 ' CD2' ' A' ' 38' ' ' LEU . 1.9 pp -127.69 169.9 13.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.8 p -82.2 158.42 23.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -49.61 -35.35 20.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -70.73 -51.86 24.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -50.35 -46.46 55.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.753 ' CE1' ' CZ ' ' A' ' 53' ' ' PHE . 11.7 t80 -46.15 -60.5 2.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 130' ' ' PHE . 4.4 m-70 -37.99 -63.83 0.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 70.9 p -57.59 -42.8 83.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 130' ' ' PHE . . . -45.84 152.91 0.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.098 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -69.48 101.45 1.59 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.066 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.566 HG12 ' HB2' ' A' ' 139' ' ' MET . 5.0 t -131.62 147.35 32.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 41.5 t -71.95 146.05 48.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.591 HG22 ' HD2' ' A' ' 141' ' ' LYS . 96.3 m -39.32 -65.92 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.171 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -38.21 -72.0 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.081 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' MET . . . . . 0.566 ' HB2' HG12 ' A' ' 135' ' ' VAL . 42.1 mmm -41.1 -58.42 1.77 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.91 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.408 ' CG ' ' HB ' ' A' ' 135' ' ' VAL . 3.4 mtpm? -44.35 -35.03 2.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.948 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.591 ' HD2' HG22 ' A' ' 137' ' ' THR . 6.7 mtpm? -72.85 -35.2 67.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.561 HG13 HG13 ' A' ' 104' ' ' VAL . 24.2 t -55.85 -19.72 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -76.6 -66.68 0.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 33.4 ptt85 -45.89 -28.82 1.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.508 HG12 ' O ' ' A' ' 88' ' ' LEU . 86.4 t -78.1 -36.76 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.136 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -72.54 -32.13 65.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -51.73 -62.59 1.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -81.14 116.13 4.15 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.484 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' A' ' 150' ' ' SER . 7.7 pt20 -116.47 79.08 1.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.803 0.335 . . . . 0.0 110.876 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 149' ' ' GLN . 10.4 t 35.22 41.52 0.08 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.8 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -171.56 73.78 0.1 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.508 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 151.93 69.1 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.701 2.267 . . . . 0.0 112.38 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 6.1 t -97.86 125.34 42.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.794 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 91.9 p -53.03 135.7 36.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.465 -179.982 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.247 0 N-CA-C 112.425 -0.27 . . . . 0.0 112.425 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.6 p -99.55 134.9 41.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.937 0.399 . . . . 0.0 110.85 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -38.77 -50.45 1.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.793 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.06 68.96 1.44 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.517 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.0 m -95.15 161.9 13.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.885 0.374 . . . . 0.0 110.831 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -118.51 174.11 6.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.86 145.87 5.29 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.496 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.81 2.85 3.19 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.714 2.276 . . . . 0.0 112.351 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.0 ttp85 -93.2 90.56 6.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 35.3 tttp -120.25 84.87 2.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 48.11 40.19 13.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.104 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.9 m 47.71 40.24 11.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.807 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -73.42 -40.62 64.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.811 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.0 mttm -165.64 162.82 13.11 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.568 0.699 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 165.47 30.88 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.742 2.295 . . . . 0.0 112.282 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 17' ' ' ARG . 54.1 Cg_endo -69.81 -28.43 25.0 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.697 2.265 . . . . 0.0 112.321 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 16' ' ' PRO . 52.6 mtt180 -38.21 -62.63 0.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -83.06 100.23 10.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -146.68 113.48 6.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.481 ' HB2' ' CB ' ' A' ' 58' ' ' TRP . 25.5 m -117.98 146.87 43.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.7 m -151.81 153.05 33.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.836 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.499 ' CB ' ' CD ' ' A' ' 65' ' ' GLN . . . -117.42 108.23 15.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.122 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.538 HG21 HG21 ' A' ' 142' ' ' VAL . 9.0 t -104.91 146.26 29.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.442 ' HB2' HD11 ' A' ' 69' ' ' LEU . 31.2 t -127.03 161.92 27.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.828 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 95.4 t -115.12 111.08 34.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.101 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 38.6 tp -96.4 117.73 31.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.927 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.405 ' HG2' ' N ' ' A' ' 28' ' ' GLN . 13.1 tt0 -123.7 144.8 49.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.878 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.405 ' N ' ' HG2' ' A' ' 27' ' ' GLU . 0.8 OUTLIER -127.31 128.96 23.98 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.647 0.736 . . . . 0.0 110.863 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 119.31 6.28 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.685 2.256 . . . . 0.0 112.358 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -125.64 -173.06 13.55 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.459 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.44 -54.9 40.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.84 0.352 . . . . 0.0 111.096 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 34.0 mt -52.93 -50.18 64.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.06 -66.59 0.15 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -170.1 135.39 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.746 0.307 . . . . 0.0 111.065 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -125.95 141.79 51.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.856 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.658 HD12 ' HE1' ' A' ' 53' ' ' PHE . 8.2 pt -105.71 173.91 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.119 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.513 HD13 ' NE1' ' A' ' 124' ' ' TRP . 42.6 tp -108.76 137.62 46.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.435 ' CD2' ' HB3' ' A' ' 51' ' ' TRP . 9.8 tp -133.44 124.89 27.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.2 m -112.06 137.28 45.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -76.36 152.67 36.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.907 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 -82.58 156.85 68.02 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.611 0.719 . . . . 0.0 110.859 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 153.87 68.46 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.661 2.24 . . . . 0.0 112.4 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -77.18 171.85 14.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.853 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.2 m 57.3 42.98 24.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.414 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . -160.73 168.55 36.19 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.524 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.3 mt -43.48 136.53 3.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.893 0.378 . . . . 0.0 110.94 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.427 ' O ' HD23 ' A' ' 50' ' ' LEU . 6.0 mp 44.82 48.95 9.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.414 ' HB2' ' O ' ' A' ' 45' ' ' GLY . . . -66.35 121.33 15.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.08 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.732 ' C ' HD22 ' A' ' 50' ' ' LEU . . . 94.42 42.43 3.96 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.48 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.732 HD22 ' C ' ' A' ' 49' ' ' GLY . 4.3 mm? -132.28 142.22 49.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 0.0 110.852 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.435 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 83.1 m95 -81.41 146.0 30.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -174.22 160.14 3.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.696 ' CZ ' ' CE1' ' A' ' 130' ' ' PHE . 22.0 m-85 -68.7 149.42 97.95 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.655 0.74 . . . . 0.0 110.86 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 143.31 50.33 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.673 2.249 . . . . 0.0 112.33 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 99.0 p -143.69 165.44 27.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.85 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 18.2 m -128.13 178.36 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.169 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.8 p -65.41 149.36 50.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.167 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.481 ' CB ' ' HB2' ' A' ' 20' ' ' SER . 88.9 t90 -68.62 147.1 52.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.861 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -132.92 134.87 25.02 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.6 0.714 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 -23.47 31.15 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.639 2.226 . . . . 0.0 112.387 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.1 t -100.54 130.69 46.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.427 ' HG2' ' N ' ' A' ' 63' ' ' GLN . 0.3 OUTLIER -50.93 -36.58 39.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.475 ' O ' ' N ' ' A' ' 66' ' ' ARG . 7.3 tp60 -72.39 -67.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 63' ' ' GLN . 6.8 mp -34.25 -42.48 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.499 ' CD ' ' CB ' ' A' ' 22' ' ' ALA . 3.7 tp-100 -58.36 -48.76 79.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 63' ' ' GLN . 20.1 mtt180 -71.46 -39.64 70.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.7 mttm -55.42 -46.21 76.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.84 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -82.59 -36.61 26.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.442 HD11 ' HB2' ' A' ' 24' ' ' CYS . 50.4 tp -46.82 -51.94 15.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.912 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.545 HD22 ' HB3' ' A' ' 80' ' ' LEU . 76.6 mt -68.82 -43.95 74.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -41.15 -45.8 2.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -71.0 -60.53 2.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.9 mt -38.22 -55.28 1.33 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -46.13 -43.22 14.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.962 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -51.12 -32.75 23.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.85 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -86.09 -75.09 0.39 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -72.81 -71.62 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.075 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 150.06 -100.61 0.21 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.486 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.477 ' O ' HD22 ' A' ' 80' ' ' LEU . 53.4 Cg_endo -69.84 109.23 2.27 Favored 'Trans proline' 0 C--O 1.233 0.251 0 C-N-CA 122.688 2.259 . . . . 0.0 112.36 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.545 ' HB3' HD22 ' A' ' 70' ' ' LEU . 4.5 mm? -123.18 126.45 25.94 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.659 0.742 . . . . 0.0 110.88 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.401 ' HG2' HD21 ' A' ' 107' ' ' LEU . 53.8 Cg_endo -69.71 163.01 39.83 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.662 2.242 . . . . 0.0 112.389 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -102.97 -66.97 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.081 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 84' ' ' HIS . 90.1 m -45.67 -56.71 4.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.443 ' C ' ' O ' ' A' ' 83' ' ' THR . 18.6 m170 -34.06 -57.05 0.48 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.435 HD21 HD23 ' A' ' 69' ' ' LEU . 63.5 tp -39.06 135.97 0.86 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.0 mtp85 -157.62 130.29 7.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.425 ' HB2' ' CE1' ' A' ' 105' ' ' TYR . 19.2 t-80 -69.97 123.3 21.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 29.6 mt -128.27 97.85 4.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 65.81 -173.49 22.1 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.456 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -147.98 171.04 16.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.861 0.362 . . . . 0.0 110.856 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.444 HG23 ' CG2' ' A' ' 104' ' ' VAL . 74.0 t -141.56 106.56 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.158 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' ' 100' ' ' LEU . 93.5 t -120.8 107.58 20.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.554 ' CD2' ' CE1' ' A' ' 95' ' ' PHE . 49.2 t60 -99.06 117.25 33.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 24.7 m -82.44 128.69 34.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.166 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.554 ' CE1' ' CD2' ' A' ' 93' ' ' HIS . 44.7 m-85 -105.28 174.79 5.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 34.6 m -46.68 -68.91 0.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -119.72 27.13 8.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.409 HG22 ' N ' ' A' ' 99' ' ' LYS . 56.9 mt -143.35 152.92 16.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.409 ' N ' HG22 ' A' ' 98' ' ' ILE . 50.7 tttt -135.06 113.03 11.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.605 ' O ' HG13 ' A' ' 92' ' ' VAL . 4.0 mm? -99.75 139.04 36.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.534 ' HA ' HG22 ' A' ' 92' ' ' VAL . 99.1 m -127.12 99.75 5.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.158 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -98.55 147.5 24.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -109.62 116.18 31.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.444 ' CG2' HG23 ' A' ' 91' ' ' VAL . 84.7 t -72.78 124.4 29.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.176 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.425 ' CE1' ' HB2' ' A' ' 87' ' ' HIS . 28.5 m-85 -132.33 130.4 40.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -103.72 140.64 14.99 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.491 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.485 ' C ' HD13 ' A' ' 107' ' ' LEU . 1.0 OUTLIER -155.95 106.41 2.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.813 0.339 . . . . 0.0 110.909 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -126.03 141.41 51.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.086 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.669 HD22 ' HB2' ' A' ' 112' ' ' GLN . 78.6 mt -80.03 104.29 10.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.956 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -64.74 -57.26 9.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -155.03 44.73 0.55 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.479 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.669 ' HB2' HD22 ' A' ' 109' ' ' LEU . 9.2 mm100 -100.15 -175.11 2.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.859 0.361 . . . . 0.0 110.866 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 74.9 p -74.38 143.49 79.72 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.596 0.712 . . . . 0.0 111.12 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.406 ' HB2' HG23 ' A' ' 116' ' ' THR . 54.0 Cg_endo -69.8 165.9 29.47 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.716 2.277 . . . . 0.0 112.35 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.434 ' O ' ' C ' ' A' ' 116' ' ' THR . 7.2 p -98.79 -40.55 9.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.155 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 115' ' ' VAL . 30.0 p 35.33 36.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 90.1 m -152.56 143.05 22.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.219 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.712 ' CG2' ' HB3' ' A' ' 122' ' ' ALA . 14.3 p -168.6 134.17 1.47 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.649 0.738 . . . . 0.0 111.149 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.401 ' HD2' HG23 ' A' ' 118' ' ' VAL . 53.5 Cg_endo -69.83 170.05 17.57 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.655 2.237 . . . . 0.0 112.327 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 3.26 2.86 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.752 2.302 . . . . 0.0 112.378 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -115.45 20.31 13.87 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.486 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.712 ' HB3' ' CG2' ' A' ' 118' ' ' VAL . . . -142.61 160.54 40.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.747 0.308 . . . . 0.0 111.114 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -144.51 138.81 27.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' TRP . . . . . 0.513 ' NE1' HD13 ' A' ' 37' ' ' LEU . 33.7 m95 -106.11 107.49 18.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.947 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.7 pp -124.72 170.24 11.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 34.2 p -77.62 174.0 11.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.128 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -62.94 -45.75 90.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -63.21 -63.82 1.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -37.98 -44.11 0.77 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.878 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.696 ' CE1' ' CZ ' ' A' ' 53' ' ' PHE . 19.6 t80 -49.54 -58.54 5.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.951 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . 0.427 ' C ' ' O ' ' A' ' 130' ' ' PHE . 21.0 m-70 -35.74 -58.24 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.89 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 48.8 p -60.59 -43.48 97.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.162 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.822 ' O ' HG23 ' A' ' 135' ' ' VAL . . . -44.75 130.03 7.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.096 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -54.78 102.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.084 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.822 HG23 ' O ' ' A' ' 133' ' ' ALA . 11.3 t -132.62 145.76 33.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.074 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 8.2 t -65.07 144.64 57.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.879 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 99.7 m -40.57 -63.73 0.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.152 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -42.58 -65.64 0.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.079 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' MET . . . . . 0.642 ' HB2' HG12 ' A' ' 135' ' ' VAL . 40.9 mmm -46.61 -51.81 14.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.871 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.436 ' CG ' ' HB ' ' A' ' 135' ' ' VAL . 17.5 mtpt -51.12 -34.9 32.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.429 ' HA ' ' CD ' ' A' ' 144' ' ' ARG . 18.8 mtpp -73.54 -34.3 65.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.538 HG21 HG21 ' A' ' 23' ' ' THR . 79.2 t -51.91 -29.73 11.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.163 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.461 ' O ' ' N ' ' A' ' 146' ' ' TYR . 64.8 t80 -75.08 -66.9 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.437 ' HB3' ' NH1' ' A' ' 144' ' ' ARG . 1.2 ptp180 -41.57 -42.12 2.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.821 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 58.0 t -64.69 -34.88 72.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . 0.461 ' N ' ' O ' ' A' ' 143' ' ' PHE . 2.2 t80 -71.61 -52.91 15.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . 0.433 ' O ' ' C ' ' A' ' 148' ' ' GLY . 7.1 mm-40 -45.03 -41.84 7.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.942 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 147' ' ' GLN . . . -34.44 -41.82 0.26 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.424 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 28.4 mp0 -121.45 95.68 4.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.803 0.335 . . . . 0.0 110.877 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 3.6 m -151.57 125.83 9.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.414 ' HA2' ' HD2' ' A' ' 152' ' ' PRO . . . -171.0 101.23 0.16 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . 0.414 ' HD2' ' HA2' ' A' ' 151' ' ' GLY . 52.7 Cg_endo -69.8 2.13 3.83 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.753 2.302 . . . . 0.0 112.329 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 31.9 t -44.05 158.05 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 40.0 m -72.78 155.12 40.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.514 179.968 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.9 p -136.55 167.8 20.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.823 0.344 . . . . 0.0 110.855 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -120.03 131.27 55.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.86 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.49 112.7 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.535 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.9 t -169.04 120.85 0.76 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.936 0.398 . . . . 0.0 110.83 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.7 p -107.24 82.33 1.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.6 -102.42 1.79 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.507 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.74 -175.91 1.31 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.661 2.24 . . . . 0.0 112.379 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.6 tpp180 -84.43 153.23 23.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -90.52 -47.76 7.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -45.91 -42.27 12.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.6 p -66.51 -40.77 89.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.8 mtm180 62.14 38.05 14.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp -127.18 156.91 73.85 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.569 0.699 . . . . 0.0 110.959 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 163.06 39.72 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.64 2.227 . . . . 0.0 112.401 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.4 Cg_endo -69.8 -43.09 2.83 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.653 2.236 . . . . 0.0 112.31 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 16' ' ' PRO . 11.1 mmt85 -34.31 -68.05 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.942 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -80.58 100.32 8.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -143.5 113.56 7.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.816 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.0 m -125.59 146.26 49.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.9 m -153.46 157.4 39.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.416 ' HB2' ' CD ' ' A' ' 65' ' ' GLN . . . -112.88 115.02 27.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.092 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.533 HG21 HG21 ' A' ' 142' ' ' VAL . 10.0 t -110.82 145.56 37.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.527 ' HB2' HD21 ' A' ' 69' ' ' LEU . 45.8 t -130.19 158.06 40.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.1 t -108.18 122.53 62.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.077 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.502 HD13 HD11 ' A' ' 80' ' ' LEU . 60.9 tp -106.22 116.57 32.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.835 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.474 ' HB2' HG22 ' A' ' 36' ' ' ILE . 31.7 tt0 -125.37 139.33 53.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -130.18 121.97 19.9 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.602 0.715 . . . . 0.0 110.902 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 127.29 14.38 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.638 2.225 . . . . 0.0 112.407 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -122.19 -166.88 12.91 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.47 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.2 -44.22 97.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.781 0.324 . . . . 0.0 111.07 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.2 mt -70.52 -42.39 71.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.07 -96.59 0.11 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.491 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -164.64 119.56 1.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.686 0.279 . . . . 0.0 111.107 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -112.08 164.2 13.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.474 HG22 ' HB2' ' A' ' 27' ' ' GLU . 3.9 pt -109.68 176.53 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.168 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.413 HD13 ' NE1' ' A' ' 124' ' ' TRP . 11.7 tp -109.45 142.95 39.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.979 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.456 HD23 ' HB3' ' A' ' 51' ' ' TRP . 10.1 tp -137.41 129.48 29.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.6 m -114.34 147.19 17.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.097 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -103.13 173.46 6.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.97 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.5 mmt85 -107.37 156.7 37.23 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.593 0.711 . . . . 0.0 110.82 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -176.33 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.672 2.248 . . . . 0.0 112.365 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 69.0 m-20 -86.04 83.46 7.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.51 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 2.1 m -174.01 149.5 1.49 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.47 -158.82 23.0 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.428 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.496 ' CD2' ' N ' ' A' ' 46' ' ' LEU . 0.2 OUTLIER -109.61 -44.51 3.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.875 0.369 . . . . 0.0 110.979 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.9 mt -94.9 44.74 1.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.945 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' A' ' 44' ' ' SER . . . -89.0 163.73 15.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.522 ' C ' HD22 ' A' ' 50' ' ' LEU . . . 78.4 26.81 58.71 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.516 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.522 HD22 ' C ' ' A' ' 49' ' ' GLY . 3.0 mm? -115.69 158.43 22.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.82 0.343 . . . . 0.0 110.919 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.496 ' CE3' ' CD ' ' A' ' 123' ' ' ARG . 86.4 m95 -110.41 113.29 25.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.462 ' CB ' ' HG3' ' A' ' 139' ' ' MET . 2.6 pm0 -138.24 176.39 8.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.837 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.527 ' CZ ' ' CE2' ' A' ' 130' ' ' PHE . 12.8 m-85 -75.51 150.58 84.72 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.638 0.733 . . . . 0.0 110.871 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 143.06 49.84 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.718 2.278 . . . . 0.0 112.365 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 89.4 p -146.61 159.99 42.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.58 HG12 ' CB ' ' A' ' 72' ' ' GLU . 10.3 m -124.02 179.63 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.106 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 29.6 p -64.83 136.41 56.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.491 ' CG ' ' N ' ' A' ' 59' ' ' GLU . 78.7 t90 -56.86 169.29 0.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.92 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.491 ' N ' ' CG ' ' A' ' 58' ' ' TRP . 7.5 mm-40 -152.61 135.69 9.5 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.649 0.738 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.443 ' HA ' ' CH2' ' A' ' 58' ' ' TRP . 53.5 Cg_endo -69.71 -19.89 35.77 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.682 2.255 . . . . 0.0 112.344 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -96.67 154.36 17.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.846 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -75.48 -27.75 58.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 43.6 tp60 -85.86 -57.43 3.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.9 mp -42.9 -39.48 2.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.416 ' CD ' ' HB2' ' A' ' 22' ' ' ALA . 18.7 tp60 -54.3 -51.21 65.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 55.1 mtt180 -70.05 -43.68 70.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -43.08 -49.16 6.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 70' ' ' LEU . . . -81.76 -53.17 6.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.109 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.547 HD23 HD21 ' A' ' 85' ' ' LEU . 59.3 tp -34.3 -34.72 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.661 HD22 ' HB3' ' A' ' 80' ' ' LEU . 68.1 mt -86.94 -49.89 7.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' ' 68' ' ' ALA . 0.1 OUTLIER -41.03 -34.62 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.58 ' CB ' HG12 ' A' ' 56' ' ' VAL . 2.6 tp10 -77.64 -57.49 3.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 18.0 mt -39.74 -49.09 2.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -51.62 -47.79 63.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 31.7 mtp180 -49.19 -27.1 3.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 90.1 m95 -90.37 -72.91 0.55 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.409 ' CA ' HG21 ' A' ' 115' ' ' VAL . . . -79.05 -70.04 0.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.099 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 155.21 -104.87 0.26 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.507 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.554 ' O ' HD22 ' A' ' 80' ' ' LEU . 54.3 Cg_endo -69.69 119.6 6.52 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.644 2.23 . . . . 0.0 112.418 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.661 ' HB3' HD22 ' A' ' 70' ' ' LEU . 4.3 mm? -127.35 131.3 23.77 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.579 0.704 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.908 ' HG2' HD21 ' A' ' 107' ' ' LEU . 53.8 Cg_endo -69.71 179.21 3.83 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.7 2.266 . . . . 0.0 112.347 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -124.97 -61.21 1.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 40.9 p -54.0 -49.53 68.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 30.6 m170 -46.98 -47.74 21.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.547 HD21 HD23 ' A' ' 69' ' ' LEU . 47.4 tp -44.45 134.16 5.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.955 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 56.0 mtt180 -156.44 133.36 10.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 105' ' ' TYR . 22.1 t-80 -73.45 125.91 28.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.583 HD13 ' HB2' ' A' ' 149' ' ' GLN . 21.6 mt -128.04 95.11 4.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.954 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.429 ' O ' ' NE2' ' A' ' 87' ' ' HIS . . . 70.65 -174.95 38.31 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.453 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.401 ' HA ' HG23 ' A' ' 104' ' ' VAL . 3.7 pt-20 -147.76 168.75 21.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.848 0.356 . . . . 0.0 110.93 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.552 HG23 ' CG2' ' A' ' 104' ' ' VAL . 76.2 t -137.35 106.1 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.189 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.463 HG22 ' HA ' ' A' ' 101' ' ' THR . 54.2 t -119.05 103.08 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.079 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 21.1 t60 -98.58 111.09 23.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 27.8 m -82.49 109.73 16.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -81.44 -175.93 5.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.8 m -54.47 -67.02 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.414 ' CD2' ' H ' ' A' ' 97' ' ' HIS . 0.3 OUTLIER -119.43 25.8 9.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.872 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 46.6 mt -142.28 147.83 20.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.107 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 51.5 tttt -127.23 110.0 12.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -98.29 140.04 33.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.95 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.463 ' HA ' HG22 ' A' ' 92' ' ' VAL . 91.0 m -128.85 102.8 6.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.163 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -103.33 147.68 26.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.97 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -109.93 113.14 25.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.552 ' CG2' HG23 ' A' ' 91' ' ' VAL . 60.8 t -71.63 124.32 27.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.57 ' CE1' ' HB2' ' A' ' 87' ' ' HIS . 24.1 m-85 -131.08 138.54 49.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.944 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -107.47 142.69 15.84 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.517 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.908 HD21 ' HG2' ' A' ' 81' ' ' PRO . 1.7 tm? -161.69 125.81 3.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.835 0.35 . . . . 0.0 110.847 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.7 ' N ' HD13 ' A' ' 107' ' ' LEU . . . -145.21 158.25 43.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.177 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 87.3 mt -96.36 120.0 35.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 111' ' ' GLY . 6.4 pt-20 -68.6 -35.0 76.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.418 ' N ' ' HG3' ' A' ' 110' ' ' GLU . . . 146.91 70.26 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.536 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 -115.84 -73.13 0.66 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.908 0.385 . . . . 0.0 110.883 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 23.0 p -148.47 137.91 12.35 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.558 0.694 . . . . 0.0 111.14 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.7 170.72 15.84 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.742 2.295 . . . . 0.0 112.412 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.48 ' O ' ' N ' ' A' ' 117' ' ' THR . 7.7 p -100.84 -39.82 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.449 ' C ' ' O ' ' A' ' 115' ' ' VAL . 25.5 p 33.83 34.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.159 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.48 ' N ' ' O ' ' A' ' 115' ' ' VAL . 18.4 m -155.38 129.76 8.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.556 HG23 ' HD2' ' A' ' 119' ' ' PRO . 8.4 p -164.93 137.44 3.59 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.584 0.707 . . . . 0.0 111.114 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.556 ' HD2' HG23 ' A' ' 118' ' ' VAL . 53.6 Cg_endo -69.76 164.26 35.22 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.644 2.229 . . . . 0.0 112.346 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 2.77 3.21 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.67 2.247 . . . . 0.0 112.374 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -107.72 22.31 28.41 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.468 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.418 ' HB3' ' CG2' ' A' ' 118' ' ' VAL . . . -146.06 173.07 12.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.777 0.323 . . . . 0.0 111.113 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.496 ' CD ' ' CE3' ' A' ' 51' ' ' TRP . 14.0 ptm180 -155.14 139.23 16.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' TRP . . . . . 0.413 ' NE1' HD13 ' A' ' 37' ' ' LEU . 33.8 m95 -103.33 103.58 13.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.456 HD23 ' NE ' ' A' ' 123' ' ' ARG . 1.3 pp -121.57 167.88 12.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 7.9 p -79.45 163.92 24.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.159 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -53.95 -42.74 69.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -65.63 -54.24 30.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.909 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -47.3 -34.41 6.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.928 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.527 ' CE2' ' CZ ' ' A' ' 53' ' ' PHE . 4.0 t80 -64.73 -56.79 11.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 130' ' ' PHE . 8.4 m-70 -37.56 -54.02 1.17 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 74.9 p -69.75 -46.22 66.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.597 ' O ' HG23 ' A' ' 135' ' ' VAL . . . -39.37 144.77 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.162 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.56 104.81 1.07 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.104 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.639 HG12 ' HB2' ' A' ' 139' ' ' MET . 2.6 t -132.82 149.42 31.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.183 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 36.1 m -67.96 151.19 47.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.82 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 97.8 m -46.81 -55.6 7.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.134 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -50.82 -66.35 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.158 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' MET . . . . . 0.639 ' HB2' HG12 ' A' ' 135' ' ' VAL . 38.0 mmm -46.32 -47.97 18.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.947 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 14.6 mtpt -50.4 -34.83 25.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.872 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 19.7 mttp -74.42 -34.41 63.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.533 HG21 HG21 ' A' ' 23' ' ' THR . 35.7 t -54.81 -16.77 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.14 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.575 ' CE1' ' HG3' ' A' ' 147' ' ' GLN . 46.2 t80 -91.65 -69.38 0.74 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.56 ' HD2' HG23 ' A' ' 145' ' ' VAL . 0.0 OUTLIER -40.0 -33.31 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.819 -179.846 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.56 HG23 ' HD2' ' A' ' 144' ' ' ARG . 77.9 t -75.26 -41.25 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.077 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . 0.445 ' N ' ' O ' ' A' ' 143' ' ' PHE . 2.0 t80 -69.49 -32.47 71.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.944 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . 0.575 ' HG3' ' CE1' ' A' ' 143' ' ' PHE . 37.9 mm-40 -56.79 -51.97 66.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 147' ' ' GLN . . . -34.18 -39.3 0.13 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.459 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . 0.583 ' HB2' HD13 ' A' ' 88' ' ' LEU . 23.5 mp0 -114.54 105.64 13.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.753 0.311 . . . . 0.0 110.9 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 30.8 t -162.59 119.22 1.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.408 ' HA2' ' HD2' ' A' ' 152' ' ' PRO . . . -98.43 111.81 4.32 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.465 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . 0.408 ' HD2' ' HA2' ' A' ' 151' ' ' GLY . 53.6 Cg_endo -69.77 -48.01 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.716 2.278 . . . . 0.0 112.301 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 23.0 m -115.68 -55.66 2.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.902 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 58.2 m -86.77 94.86 9.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.515 -179.943 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.451 -0.259 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.9 p -68.98 97.56 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.901 0.382 . . . . 0.0 110.876 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.5 m -79.56 101.38 8.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.933 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.12 65.03 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.448 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 t -66.19 138.83 57.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.847 0.356 . . . . 0.0 110.863 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -113.47 -54.81 2.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.864 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.52 -148.2 23.19 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.484 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -37.98 8.59 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.737 2.291 . . . . 0.0 112.407 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.8 mmt85 -143.99 153.58 42.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.415 ' HE2' ' C ' ' A' ' 10' ' ' LYS . 0.2 OUTLIER -38.77 -71.46 0.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.83 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.81 116.03 18.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.063 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.9 m -74.55 78.54 1.96 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.3 mmm180 -96.72 -50.58 4.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -139.32 153.07 70.64 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.529 0.68 . . . . 0.0 110.923 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 167.14 25.31 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.711 2.274 . . . . 0.0 112.27 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.5 Cg_endo -69.87 -28.52 24.63 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.596 2.198 . . . . 0.0 112.344 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 16' ' ' PRO . 40.6 mtp180 -37.29 -60.76 0.64 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -87.32 100.3 12.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.802 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -144.04 113.6 7.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.5 m -121.5 143.5 49.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.4 m -147.77 154.5 40.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.498 ' CB ' ' OE1' ' A' ' 65' ' ' GLN . . . -116.45 111.55 20.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.067 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.5 t -108.25 145.61 34.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.196 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.443 ' HB2' HD21 ' A' ' 69' ' ' LEU . 34.2 t -128.28 160.14 33.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 96.6 t -114.52 107.68 23.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.163 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.2 tp -91.55 126.92 36.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.56 ' HB2' HG22 ' A' ' 36' ' ' ILE . 29.5 tt0 -147.23 157.88 43.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -146.8 151.02 41.21 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.59 0.71 . . . . 0.0 110.92 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 119.81 6.7 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.658 2.239 . . . . 0.0 112.362 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -111.11 -150.75 11.99 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.548 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.68 -57.73 2.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.869 0.366 . . . . 0.0 111.114 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.2 mt -65.61 -44.7 85.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.91 -76.67 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.454 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -170.68 142.59 2.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.66 0.267 . . . . 0.0 111.131 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.43 ' HG3' ' C ' ' A' ' 125' ' ' LEU . 36.4 tt0 -124.25 130.56 52.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.938 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.56 HG22 ' HB2' ' A' ' 27' ' ' GLU . 5.7 pt -95.38 177.02 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.194 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.742 HD13 ' NE1' ' A' ' 124' ' ' TRP . 32.2 tp -109.8 142.54 40.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.947 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.573 ' CD2' HD21 ' A' ' 125' ' ' LEU . 10.0 tp -138.62 121.3 16.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.976 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.0 m -109.53 169.81 3.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.065 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.478 ' HG3' ' CE3' ' A' ' 51' ' ' TRP . 45.2 mt-30 -104.01 163.87 12.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.946 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -102.54 161.3 23.67 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.65 0.738 . . . . 0.0 110.852 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 172.36 12.79 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.718 2.278 . . . . 0.0 112.325 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 36.9 m-20 -76.8 103.55 6.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.1 t -92.74 -59.51 2.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.833 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 174.33 -98.36 0.13 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.505 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 32.6 mt -70.33 -59.03 3.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.812 0.339 . . . . 0.0 110.895 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 48.5 tp -100.19 95.07 6.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.963 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -143.43 163.1 34.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.58 37.81 57.86 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.502 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -98.53 173.91 6.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.777 0.322 . . . . 0.0 110.922 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.625 ' O ' HG13 ' A' ' 135' ' ' VAL . 98.1 m95 -107.21 110.64 22.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.511 ' N ' ' CD ' ' A' ' 52' ' ' GLU . 0.8 OUTLIER -143.57 165.7 26.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.581 ' CZ ' ' CZ ' ' A' ' 130' ' ' PHE . 22.2 m-85 -71.83 151.94 93.2 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.686 0.755 . . . . 0.0 110.825 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 142.09 46.73 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.686 2.257 . . . . 0.0 112.288 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.8 p -145.94 161.56 39.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.817 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.412 ' CG1' ' HB2' ' A' ' 72' ' ' GLU . 12.2 m -124.42 174.84 7.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.156 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 29.1 p -62.05 143.46 56.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.115 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.428 ' CG ' ' N ' ' A' ' 59' ' ' GLU . 72.0 t90 -57.72 167.69 1.05 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.428 ' N ' ' CG ' ' A' ' 58' ' ' TRP . 55.0 mm-40 -156.85 132.26 5.6 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.66 0.743 . . . . 0.0 110.883 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 -19.47 35.69 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.68 2.253 . . . . 0.0 112.302 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -104.92 126.93 52.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.401 ' HG2' ' N ' ' A' ' 63' ' ' GLN . 3.1 pt-20 -49.93 -35.35 23.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.922 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.401 ' N ' ' HG2' ' A' ' 62' ' ' GLU . 19.2 tt0 -72.34 -66.58 0.63 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.0 mp -38.05 -38.25 0.31 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.498 ' OE1' ' CB ' ' A' ' 22' ' ' ALA . 3.3 tp-100 -62.55 -53.55 53.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.524 ' HG2' HD21 ' A' ' 85' ' ' LEU . 74.3 mtm180 -65.27 -42.31 93.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -54.31 -49.6 69.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.95 -38.17 57.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.443 HD21 ' HB2' ' A' ' 24' ' ' CYS . 47.1 tp -49.43 -60.3 2.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.957 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.63 HD22 ' HB3' ' A' ' 80' ' ' LEU . 87.4 mt -55.77 -54.57 42.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 70' ' ' LEU . 31.7 mm-40 -35.82 -41.64 0.23 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.412 ' HB2' ' CG1' ' A' ' 56' ' ' VAL . 20.4 tp10 -71.87 -55.62 7.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 24.2 mt -44.63 -46.89 10.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -54.43 -44.66 72.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -53.44 -30.14 38.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.5 ' CE3' ' HB2' ' A' ' 122' ' ' ALA . 91.9 m95 -88.21 -69.44 0.7 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.692 ' HB1' HG21 ' A' ' 115' ' ' VAL . . . -79.82 -72.35 0.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.085 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 155.39 -105.21 0.27 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.446 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.548 ' O ' HD22 ' A' ' 80' ' ' LEU . 53.5 Cg_endo -69.7 115.11 3.93 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.735 2.29 . . . . 0.0 112.339 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.63 ' HB3' HD22 ' A' ' 70' ' ' LEU . 4.3 mm? -124.95 133.45 24.82 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.652 0.739 . . . . 0.0 110.918 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.716 ' HG2' HD21 ' A' ' 107' ' ' LEU . 54.3 Cg_endo -69.74 178.94 4.06 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.607 2.205 . . . . 0.0 112.393 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -118.76 -64.01 1.33 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.014 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 84' ' ' HIS . 66.7 p -56.85 -50.0 73.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.187 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.44 ' C ' ' O ' ' A' ' 83' ' ' THR . 14.2 m-70 -34.69 -54.42 0.55 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.524 HD21 ' HG2' ' A' ' 66' ' ' ARG . 55.7 tp -42.65 140.97 1.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.952 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 26.3 ptt-85 -160.64 131.76 5.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.959 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 33.2 t-80 -68.47 122.4 18.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 19.9 mt -128.8 93.77 3.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.958 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 65.81 -178.19 12.56 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.477 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -145.22 171.23 14.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.906 0.384 . . . . 0.0 110.89 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 57.0 t -143.25 115.8 3.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.645 HG22 ' HA ' ' A' ' 101' ' ' THR . 65.2 t -125.42 113.2 34.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.216 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 61.7 t60 -99.55 112.08 24.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 32.1 m -81.42 101.91 10.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.443 ' CD2' HD23 ' A' ' 100' ' ' LEU . 32.4 m-85 -71.77 -179.59 2.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 71.4 m -59.06 -52.22 66.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.821 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.447 ' CD2' ' H ' ' A' ' 97' ' ' HIS . 0.2 OUTLIER -130.57 24.38 5.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.449 HG22 ' N ' ' A' ' 99' ' ' LYS . 43.3 mt -143.5 155.18 16.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.449 ' N ' HG22 ' A' ' 98' ' ' ILE . 19.0 tttp -130.03 115.02 16.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.63 ' O ' HG13 ' A' ' 92' ' ' VAL . 4.3 mm? -102.5 135.57 43.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.99 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.645 ' HA ' HG22 ' A' ' 92' ' ' VAL . 89.6 m -122.84 97.84 5.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.119 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -96.15 152.68 18.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.949 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -115.29 114.36 25.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.889 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.611 HG13 HG13 ' A' ' 142' ' ' VAL . 58.2 t -74.38 124.77 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.196 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -133.93 136.65 44.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -112.38 125.5 7.16 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.505 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.716 HD21 ' HG2' ' A' ' 81' ' ' PRO . 2.1 tm? -134.95 103.42 5.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.363 . . . . 0.0 110.958 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -119.63 129.09 54.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.066 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.506 HD22 ' HB2' ' A' ' 112' ' ' GLN . 67.9 mt -75.18 101.54 4.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -69.46 -44.28 71.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -161.79 47.26 0.36 Allowed Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.47 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.506 ' HB2' HD22 ' A' ' 109' ' ' LEU . 38.8 mm-40 -105.36 -176.65 3.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.929 0.395 . . . . 0.0 110.918 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 36.7 p -69.08 143.47 94.27 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.508 0.67 . . . . 0.0 111.194 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 168.68 20.88 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.676 2.251 . . . . 0.0 112.344 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.692 HG21 ' HB1' ' A' ' 77' ' ' ALA . 7.6 p -110.85 -51.43 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.199 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.572 ' N ' HG13 ' A' ' 115' ' ' VAL . 3.3 t 31.95 38.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.123 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.487 ' H ' HG22 ' A' ' 115' ' ' VAL . 77.3 m -151.52 127.36 10.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.153 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.604 ' CG2' ' HB3' ' A' ' 122' ' ' ALA . 13.3 p -151.72 134.17 8.62 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.586 0.707 . . . . 0.0 111.102 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.435 ' HD2' HG23 ' A' ' 118' ' ' VAL . 53.9 Cg_endo -69.71 169.75 18.12 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.672 2.248 . . . . 0.0 112.408 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 3.24 2.9 Favored 'Trans proline' 0 C--N 1.34 0.119 0 C-N-CA 122.635 2.224 . . . . 0.0 112.363 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -110.62 9.31 30.28 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.547 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.604 ' HB3' ' CG2' ' A' ' 118' ' ' VAL . . . -139.22 172.82 12.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.799 0.333 . . . . 0.0 111.064 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -151.99 141.52 21.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' TRP . . . . . 0.742 ' NE1' HD13 ' A' ' 37' ' ' LEU . 34.0 m95 -108.61 112.26 24.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.961 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.573 HD21 ' CD2' ' A' ' 38' ' ' LEU . 1.2 pp -128.48 168.09 16.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 17.6 p -79.86 160.18 26.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.148 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -50.24 -44.75 53.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -61.51 -48.23 82.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -52.86 -44.85 67.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.867 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.705 ' CE1' HG21 ' A' ' 135' ' ' VAL . 36.4 t80 -51.42 -59.95 3.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . 0.434 ' C ' ' O ' ' A' ' 130' ' ' PHE . 16.7 m-70 -35.48 -61.21 0.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 59.0 p -66.79 -26.49 66.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.18 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.916 ' O ' HG23 ' A' ' 135' ' ' VAL . . . -59.84 128.84 38.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.072 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -56.01 102.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.916 HG23 ' O ' ' A' ' 133' ' ' ALA . 2.4 t -132.24 150.02 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.18 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 137' ' ' THR . 35.3 t -64.38 138.44 58.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.647 HG22 ' HE2' ' A' ' 141' ' ' LYS . 73.6 m -36.33 -66.1 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.143 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.437 ' HA ' ' CE ' ' A' ' 141' ' ' LYS . . . -39.78 -64.0 0.53 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.082 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' MET . . . . . 0.551 ' HB2' HG12 ' A' ' 135' ' ' VAL . 36.7 mmm -46.12 -48.23 17.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.423 ' HG2' ' HB ' ' A' ' 135' ' ' VAL . 7.4 mtpp -58.65 -33.54 70.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.647 ' HE2' HG22 ' A' ' 137' ' ' THR . 46.8 mtmt -70.28 -36.57 74.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.849 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.611 HG13 HG13 ' A' ' 104' ' ' VAL . 49.7 t -59.04 -28.26 38.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.16 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -67.56 -67.87 0.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -49.14 -30.73 7.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.455 HG11 HG21 ' A' ' 104' ' ' VAL . 33.1 t -72.25 -29.29 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -82.67 -37.48 24.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.957 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 148' ' ' GLY . 67.7 mt-30 -48.6 -40.52 27.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.902 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 147' ' ' GLN . . . -34.23 -66.82 0.27 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.48 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 68.2 mm-40 -91.5 81.34 5.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.833 0.349 . . . . 0.0 110.841 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 92.8 p -101.67 -16.51 16.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -93.48 143.23 16.39 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.433 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -5.27 15.83 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.684 2.256 . . . . 0.0 112.318 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 13.2 t -41.49 130.91 3.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.823 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 60.7 p -149.19 114.85 5.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.511 -179.926 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.245 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.1 p 44.15 42.63 5.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.895 0.379 . . . . 0.0 110.913 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.4 p -138.09 151.52 47.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.49 -149.24 8.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.407 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 m -58.08 144.04 41.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.892 0.377 . . . . 0.0 110.842 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.7 m -102.31 149.73 24.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.844 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.96 145.88 4.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.476 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -4.41 13.93 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.707 2.271 . . . . 0.0 112.387 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.39 -68.24 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.9 ptmm? -95.37 153.41 17.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 52.37 47.87 23.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.057 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.8 t -124.47 123.82 40.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.0 tpp180 -78.99 -49.65 12.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.1 mmtp -81.71 153.74 70.53 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.512 0.672 . . . . 0.0 110.944 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 169.37 19.12 Favored 'Trans proline' 0 N--CA 1.466 -0.136 0 C-N-CA 122.725 2.283 . . . . 0.0 112.285 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.4 Cg_endo -69.76 -24.43 29.7 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.648 2.232 . . . . 0.0 112.285 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 16' ' ' PRO . 62.3 mtm-85 -37.54 -61.23 0.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -87.37 100.29 12.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.853 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -139.47 113.47 8.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.964 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.416 ' C ' ' HB2' ' A' ' 58' ' ' TRP . 15.8 m -115.95 140.53 49.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.9 m -150.42 149.41 30.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -115.99 114.14 24.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.408 HG23 HG11 ' A' ' 142' ' ' VAL . 9.2 t -108.65 147.94 31.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.544 ' HB2' HD11 ' A' ' 69' ' ' LEU . 49.9 t -129.42 158.32 39.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 89.0 t -111.96 122.31 66.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.422 HD13 HD11 ' A' ' 80' ' ' LEU . 36.0 tp -103.85 120.5 41.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.973 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.463 ' HB3' ' HB2' ' A' ' 108' ' ' ALA . 18.6 tt0 -122.23 145.24 48.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -139.37 153.46 70.88 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.623 0.725 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 132.19 22.84 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.694 2.263 . . . . 0.0 112.365 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -125.89 159.23 20.3 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.452 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.94 -29.1 7.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.832 0.348 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.669 HD23 ' N ' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -88.65 -32.75 17.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.949 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 166.33 -66.25 0.2 Allowed Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.463 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -163.52 155.64 17.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.744 0.307 . . . . 0.0 111.106 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -146.32 143.58 29.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.9 pt -106.01 172.82 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.204 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.2 tp -105.74 141.01 37.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.452 HD22 HD21 ' A' ' 125' ' ' LEU . 10.2 tp -138.92 121.6 16.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.859 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.525 HG12 ' HB2' ' A' ' 122' ' ' ALA . 21.7 m -113.18 130.05 67.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -105.55 142.09 35.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 56.5 mtm180 -81.33 138.65 48.39 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.628 0.727 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -0.8 7.5 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.637 2.225 . . . . 0.0 112.319 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.554 ' C ' ' HB1' ' A' ' 48' ' ' ALA . 61.4 t30 -66.14 151.46 46.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.3 t -131.69 140.32 49.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.835 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 119.81 -135.78 11.33 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.538 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 47' ' ' LEU . 13.3 mt -58.89 124.72 20.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.83 0.347 . . . . 0.0 110.963 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 46' ' ' LEU . 40.3 mt 36.28 45.11 0.32 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.93 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.554 ' HB1' ' C ' ' A' ' 43' ' ' ASN . . . -121.27 159.9 25.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 63.61 42.16 98.88 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.554 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.611 ' CD1' ' HB1' ' A' ' 134' ' ' ALA . 1.7 mm? -117.7 156.68 27.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.807 0.337 . . . . 0.0 110.92 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.539 ' O ' HG13 ' A' ' 135' ' ' VAL . 91.6 m95 -93.17 127.16 38.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -154.5 162.74 41.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.686 ' CZ ' ' CE1' ' A' ' 130' ' ' PHE . 22.7 m-85 -67.51 148.33 98.65 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.718 0.771 . . . . 0.0 110.877 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 143.8 52.09 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.691 2.26 . . . . 0.0 112.316 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 56.0 p -146.53 167.05 24.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.85 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.0 m -129.87 169.9 20.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.131 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.8 t -59.46 150.59 26.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.416 ' HB2' ' C ' ' A' ' 20' ' ' SER . 79.7 t90 -62.36 154.3 28.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -138.54 132.54 16.51 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.693 0.759 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -29.65 23.52 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.642 2.228 . . . . 0.0 112.393 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 t -93.31 128.83 39.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -49.78 -36.92 27.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.829 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 64' ' ' LEU . 31.3 tp60 -72.84 -67.58 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 63' ' ' GLN . 8.7 mp -34.38 -42.99 0.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.3 -58.07 9.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.962 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 56.6 mtp180 -62.31 -37.7 86.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -57.76 -59.13 5.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.34 -33.67 76.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.544 HD11 ' HB2' ' A' ' 24' ' ' CYS . 48.3 tp -54.33 -52.38 61.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.582 HD22 ' HB3' ' A' ' 80' ' ' LEU . 69.5 mt -64.4 -53.78 43.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 70' ' ' LEU . 13.7 mm-40 -35.29 -55.22 0.64 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -57.34 -50.77 71.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.7 mt -49.64 -50.04 44.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -52.4 -40.54 62.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -52.07 -32.66 35.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.487 ' CD2' HG11 ' A' ' 39' ' ' VAL . 82.8 m95 -86.04 -70.32 0.61 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.988 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.517 ' HB1' HG21 ' A' ' 115' ' ' VAL . . . -79.11 -71.19 0.45 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 149.91 -100.07 0.2 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.513 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.523 ' O ' HD22 ' A' ' 80' ' ' LEU . 53.8 Cg_endo -69.86 113.38 3.37 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.661 2.24 . . . . 0.0 112.373 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.582 ' HB3' HD22 ' A' ' 70' ' ' LEU . 4.3 mm? -125.15 136.85 28.71 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.629 0.728 . . . . 0.0 110.91 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.526 ' HG2' HD21 ' A' ' 107' ' ' LEU . 54.1 Cg_endo -69.73 -168.6 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.667 2.245 . . . . 0.0 112.32 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -131.41 -67.05 0.71 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 72.1 p -55.63 -40.7 72.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -43.75 -43.99 6.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.888 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.471 HD11 ' HB3' ' A' ' 105' ' ' TYR . 47.1 tp -53.8 130.82 38.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 58.0 mtt180 -149.38 127.28 11.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 -68.65 122.37 18.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.823 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 20.0 mt -125.96 91.17 3.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 71.67 -170.11 49.27 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.521 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -148.95 171.07 16.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.935 0.398 . . . . 0.0 110.837 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 43.3 t -142.27 107.23 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.146 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.593 HG22 HG23 ' A' ' 101' ' ' THR . 55.0 t -116.09 107.21 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.745 ' CD2' ' CE1' ' A' ' 95' ' ' PHE . 8.7 t60 -101.71 146.6 27.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 31.4 m -111.43 115.73 29.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.128 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.745 ' CE1' ' CD2' ' A' ' 93' ' ' HIS . 29.1 m-85 -102.84 174.5 5.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.542 ' O ' ' N ' ' A' ' 98' ' ' ILE . 2.5 m -46.9 124.36 6.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.582 ' O ' ' CG ' ' A' ' 97' ' ' HIS . 0.7 OUTLIER 35.24 29.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.542 ' N ' ' O ' ' A' ' 96' ' ' SER . 61.4 mt -146.61 151.12 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.103 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.1 ttpt -135.15 123.07 22.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -107.85 150.47 26.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.854 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.593 HG23 HG22 ' A' ' 92' ' ' VAL . 92.4 m -134.19 106.01 6.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -105.0 142.11 35.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 43.6 mm-40 -105.51 114.58 28.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.744 HG22 HG13 ' A' ' 142' ' ' VAL . 61.9 t -70.06 123.08 23.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.088 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.471 ' HB3' HD11 ' A' ' 85' ' ' LEU . 50.3 m-85 -130.97 133.98 46.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.965 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -103.19 149.89 17.6 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.462 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.703 HD13 ' N ' ' A' ' 108' ' ' ALA . 0.4 OUTLIER -167.33 123.85 1.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.887 0.375 . . . . 0.0 110.95 -179.889 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.703 ' N ' HD13 ' A' ' 107' ' ' LEU . . . -150.22 161.57 42.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.089 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.482 HD22 ' CD ' ' A' ' 112' ' ' GLN . 65.9 mt -105.98 102.09 11.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.883 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -47.1 -21.93 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 134.09 60.11 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.454 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.742 ' O ' HG23 ' A' ' 113' ' ' THR . 5.4 pt20 -100.99 -54.7 2.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.925 0.393 . . . . 0.0 110.961 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.742 HG23 ' O ' ' A' ' 112' ' ' GLN . 14.0 p -165.79 143.04 4.59 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.585 0.707 . . . . 0.0 111.15 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.61 178.15 4.77 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.774 2.316 . . . . 0.0 112.329 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.517 HG21 ' HB1' ' A' ' 77' ' ' ALA . 5.1 p -112.04 -37.0 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.156 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.453 ' C ' ' O ' ' A' ' 115' ' ' VAL . 7.7 p 34.01 38.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.122 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.405 ' N ' ' O ' ' A' ' 115' ' ' VAL . 24.4 m -154.64 121.77 5.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.403 ' O ' HG13 ' A' ' 118' ' ' VAL . 9.4 p -163.82 130.24 2.32 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.578 0.704 . . . . 0.0 111.123 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 168.43 21.54 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.634 2.223 . . . . 0.0 112.37 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -0.73 7.29 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.66 2.24 . . . . 0.0 112.343 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -100.63 4.36 56.49 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.493 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.525 ' HB2' HG12 ' A' ' 39' ' ' VAL . . . -135.68 169.11 18.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.761 0.315 . . . . 0.0 111.094 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.48 ' CZ ' ' HB2' ' A' ' 123' ' ' ARG . 2.9 ptm85 -153.06 146.23 24.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 29.2 m95 -105.95 106.47 17.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.452 HD21 HD22 ' A' ' 38' ' ' LEU . 1.3 pp -120.81 169.17 10.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.928 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 10.2 p -81.8 171.03 15.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.163 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 16.6 mp0 -60.23 -47.54 85.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -64.63 -40.53 95.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -59.77 -33.75 72.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.96 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.686 ' CE1' ' CZ ' ' A' ' 53' ' ' PHE . 4.8 t80 -61.92 -60.79 3.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . 0.441 ' C ' ' O ' ' A' ' 130' ' ' PHE . 19.1 m-70 -34.45 -58.07 0.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.825 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 82.2 p -62.79 -43.04 99.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.131 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.479 ' O ' HG23 ' A' ' 135' ' ' VAL . . . -40.56 148.95 0.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.611 ' HB1' ' CD1' ' A' ' 50' ' ' LEU . . . -70.05 95.28 0.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.169 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.544 HG12 ' HB2' ' A' ' 139' ' ' MET . 2.0 t -128.77 143.64 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 13.9 m -72.7 152.96 41.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.862 HG22 ' HD2' ' A' ' 141' ' ' LYS . 31.8 m -43.53 -65.72 0.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.149 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 137' ' ' THR . . . -34.56 -69.93 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.15 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' MET . . . . . 0.544 ' HB2' HG12 ' A' ' 135' ' ' VAL . 40.2 mmm -51.24 -44.52 61.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.43 ' CG ' ' HB ' ' A' ' 135' ' ' VAL . 53.6 mttt -59.73 -23.97 63.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.862 ' HD2' HG22 ' A' ' 137' ' ' THR . 36.2 mtpt -82.42 -31.62 29.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.744 HG13 HG22 ' A' ' 104' ' ' VAL . 91.2 t -68.15 -11.25 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.083 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -86.0 -63.07 1.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -49.12 -25.26 2.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 141' ' ' LYS . 97.0 t -80.18 -43.65 22.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -61.69 -41.08 97.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.961 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -47.19 -57.84 4.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -87.08 113.31 3.93 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.46 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.67 -40.29 7.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.8 0.333 . . . . 0.0 110.923 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 66.3 p -42.42 -49.94 5.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -54.85 124.88 33.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.456 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.8 132.24 22.86 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.627 2.218 . . . . 0.0 112.341 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 1.1 t -43.78 -57.4 3.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 36.7 m -38.49 -58.6 1.01 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.916 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.537 179.972 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.5 p -132.07 154.71 49.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.861 0.362 . . . . 0.0 110.863 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.1 p -144.37 152.05 40.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.831 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.45 -80.45 0.25 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.489 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -105.96 155.86 18.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.901 0.381 . . . . 0.0 110.849 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -130.04 102.81 6.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.55 65.76 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.447 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.83 -45.06 1.69 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.617 2.212 . . . . 0.0 112.362 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 35.9 ttt85 -119.85 167.76 11.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.5 mmtp -44.18 168.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.86 88.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.09 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.7 m -159.8 124.08 3.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.807 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.18 80.9 0.34 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.932 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.9 mmtm -145.52 152.83 50.48 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.574 0.702 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 139.76 41.16 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.685 2.257 . . . . 0.0 112.324 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.7 Cg_endo -69.8 -37.51 8.97 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.628 2.219 . . . . 0.0 112.315 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 16' ' ' PRO . 43.8 mtt180 -37.63 -56.34 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.866 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -91.17 100.13 13.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -140.25 113.35 8.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.8 p -118.48 142.45 47.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.834 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.3 m -157.33 156.69 32.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.94 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -124.65 117.95 25.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.559 ' CG2' HG11 ' A' ' 142' ' ' VAL . 14.8 t -111.17 151.03 28.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.508 ' HB2' HD11 ' A' ' 69' ' ' LEU . 8.2 t -126.42 159.3 33.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.856 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 77.7 t -113.6 91.15 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 31.8 tp -78.54 117.69 19.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.492 ' HB2' HG22 ' A' ' 36' ' ' ILE . 9.9 tt0 -131.97 145.84 51.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.477 ' N ' ' HG2' ' A' ' 27' ' ' GLU . 0.5 OUTLIER -135.6 149.41 69.14 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.577 0.703 . . . . 0.0 110.99 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 121.68 8.38 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.726 2.284 . . . . 0.0 112.393 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -119.14 166.87 13.14 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.486 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.54 -55.85 8.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.845 0.355 . . . . 0.0 111.102 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 74.7 mt -60.52 -43.16 97.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.73 -69.08 0.1 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.51 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -164.72 157.23 16.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.71 0.29 . . . . 0.0 111.121 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.456 ' HG3' HG22 ' A' ' 126' ' ' THR . 0.9 OUTLIER -144.78 145.68 31.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.88 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.492 HG22 ' HB2' ' A' ' 27' ' ' GLU . 6.0 pt -111.03 176.53 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.568 HD11 ' HB1' ' A' ' 122' ' ' ALA . 36.2 tp -110.98 142.39 43.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.48 ' CD2' ' HB3' ' A' ' 51' ' ' TRP . 11.2 tp -140.25 121.12 14.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 28.3 m -111.43 141.67 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -93.3 163.21 13.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.983 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -102.86 136.14 19.32 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.559 0.695 . . . . 0.0 110.91 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 2.71 3.26 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.713 2.276 . . . . 0.0 112.345 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.595 ' C ' ' HB1' ' A' ' 48' ' ' ALA . 34.8 t-20 -76.13 141.17 41.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 57.6 m -125.94 116.36 21.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.574 ' N ' ' HB3' ' A' ' 48' ' ' ALA . . . 143.96 -159.91 27.7 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.505 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.9 mt -50.02 115.28 1.34 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.837 0.351 . . . . 0.0 110.934 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.3 mt 59.08 43.37 17.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.595 ' HB1' ' C ' ' A' ' 43' ' ' ASN . . . -131.47 158.61 40.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.44 ' C ' HD22 ' A' ' 50' ' ' LEU . . . 66.69 38.19 92.99 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.462 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.5 ' CD2' ' O ' ' A' ' 48' ' ' ALA . 4.2 mm? -112.9 153.9 27.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.772 0.32 . . . . 0.0 110.969 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.48 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 97.2 m95 -80.79 132.42 35.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -161.92 152.36 17.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.617 ' CZ ' ' CE1' ' A' ' 130' ' ' PHE . 9.1 m-85 -57.1 148.25 52.02 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.639 0.733 . . . . 0.0 110.87 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.73 140.9 43.91 Favored 'Trans proline' 0 N--CA 1.465 -0.2 0 C-N-CA 122.733 2.289 . . . . 0.0 112.381 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.0 p -139.18 163.84 31.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.832 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.484 HG11 ' HA ' ' A' ' 69' ' ' LEU . 17.7 m -127.01 179.61 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 19.0 p -67.41 139.98 57.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.501 ' CH2' ' HA ' ' A' ' 60' ' ' PRO . 83.9 t90 -51.45 162.05 0.4 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.407 ' HB2' ' CD ' ' A' ' 65' ' ' GLN . 5.4 mm-40 -151.95 129.05 5.56 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.607 0.718 . . . . 0.0 110.945 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.501 ' HA ' ' CH2' ' A' ' 58' ' ' TRP . 53.5 Cg_endo -69.76 -29.07 24.45 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.708 2.272 . . . . 0.0 112.325 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.1 t -93.56 132.65 37.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.829 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.422 ' HG2' ' N ' ' A' ' 63' ' ' GLN . 0.6 OUTLIER -53.06 -37.21 61.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.422 ' N ' ' HG2' ' A' ' 62' ' ' GLU . 44.2 tt0 -72.48 -66.49 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 63' ' ' GLN . 9.3 mp -36.67 -41.75 0.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.407 ' CD ' ' HB2' ' A' ' 59' ' ' GLU . 8.2 tp60 -57.51 -48.41 79.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.423 ' HG2' ' CD2' ' A' ' 85' ' ' LEU . 16.6 mtp180 -72.23 -32.13 66.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -58.23 -59.66 4.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.86 -38.9 73.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.508 HD11 ' HB2' ' A' ' 24' ' ' CYS . 53.2 tp -51.41 -53.86 32.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.579 HD22 ' HB3' ' A' ' 80' ' ' LEU . 83.0 mt -64.27 -50.12 69.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.452 ' HA ' ' NE2' ' A' ' 74' ' ' GLN . 14.4 mm-40 -35.94 -48.37 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.1 tp10 -65.61 -58.02 6.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.94 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.2 mt -40.23 -54.87 2.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.452 ' NE2' ' HA ' ' A' ' 71' ' ' GLN . 44.8 mt-30 -48.24 -38.06 17.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -55.13 -31.36 61.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 60.5 m95 -88.62 -71.88 0.57 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.454 ' HA ' HG21 ' A' ' 115' ' ' VAL . . . -74.8 -72.92 0.26 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.11 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 150.8 -97.63 0.18 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.506 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 108.2 2.03 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.752 2.302 . . . . 0.0 112.29 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.579 ' HB3' HD22 ' A' ' 70' ' ' LEU . 4.3 mm? -119.43 126.84 26.77 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.675 0.75 . . . . 0.0 110.857 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.741 ' HG2' HD21 ' A' ' 107' ' ' LEU . 53.7 Cg_endo -69.79 -179.44 2.93 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.675 2.25 . . . . 0.0 112.368 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -120.55 -72.51 0.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.104 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 47.8 m -49.64 -49.89 45.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.191 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 -39.01 -36.23 0.27 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.423 ' CD2' ' HG2' ' A' ' 66' ' ' ARG . 25.0 tp -64.33 128.25 34.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 28.8 mtt85 -145.19 105.28 4.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.44 ' NE2' ' O ' ' A' ' 89' ' ' GLY . 13.2 t-80 -42.2 129.09 3.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 25.6 mt -123.94 90.03 3.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.44 ' O ' ' NE2' ' A' ' 87' ' ' HIS . . . 60.84 -170.3 8.12 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.495 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -146.44 171.02 15.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.921 0.391 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.452 HG21 ' HA ' ' A' ' 142' ' ' VAL . 77.3 t -140.58 117.03 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.199 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.587 HG22 ' HA ' ' A' ' 101' ' ' THR . 54.6 t -129.91 106.4 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.077 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 37.7 t60 -98.68 107.0 19.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.848 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.7 p -79.7 101.68 8.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.135 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.423 ' N ' ' O ' ' A' ' 98' ' ' ILE . 64.8 m-85 -70.93 -179.88 2.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.9 t -47.77 -68.06 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.923 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.563 ' CD2' HG13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -120.27 28.04 8.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.563 HG13 ' CD2' ' A' ' 97' ' ' HIS . 60.8 mt -144.55 146.76 19.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 28.1 tttm -126.77 118.06 23.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.488 ' O ' HG13 ' A' ' 92' ' ' VAL . 4.1 mm? -105.5 140.72 38.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.994 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.587 ' HA ' HG22 ' A' ' 92' ' ' VAL . 90.9 m -123.63 109.33 13.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.109 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -109.09 139.58 43.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.94 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -103.48 110.09 21.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.836 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.597 HG22 HG13 ' A' ' 142' ' ' VAL . 65.7 t -69.94 123.97 24.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.148 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -134.04 127.17 31.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -109.29 119.49 5.53 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.514 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.741 HD21 ' HG2' ' A' ' 81' ' ' PRO . 1.7 tm? -135.31 109.58 8.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.867 0.365 . . . . 0.0 110.913 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.429 ' N ' HD13 ' A' ' 107' ' ' LEU . . . -124.22 140.37 53.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.078 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.513 HD22 ' HB2' ' A' ' 112' ' ' GLN . 87.6 mt -78.2 101.45 7.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -72.37 -53.16 13.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -149.05 48.51 0.6 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.46 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.513 ' HB2' HD22 ' A' ' 109' ' ' LEU . 5.0 mt-30 -113.02 -179.0 3.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.97 0.414 . . . . 0.0 110.884 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 37.8 p -74.72 128.82 84.77 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.528 0.68 . . . . 0.0 111.177 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.66 167.02 25.52 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.708 2.272 . . . . 0.0 112.318 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' ' 117' ' ' THR . 10.3 p -94.56 -45.69 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.118 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.514 ' N ' HG13 ' A' ' 115' ' ' VAL . 43.7 p 45.86 30.4 0.86 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.521 ' O ' HG22 ' A' ' 115' ' ' VAL . 5.8 t -170.0 151.25 3.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.606 ' CG2' ' HB3' ' A' ' 122' ' ' ALA . 11.0 p -154.9 137.18 9.89 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.621 0.724 . . . . 0.0 111.145 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.557 ' HD2' HG23 ' A' ' 118' ' ' VAL . 54.0 Cg_endo -69.8 169.97 17.71 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.698 2.265 . . . . 0.0 112.306 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 116.73 4.7 Favored 'Trans proline' 0 N--CA 1.464 -0.225 0 C-N-CA 122.738 2.292 . . . . 0.0 112.359 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 127.83 -26.43 4.81 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.406 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.606 ' HB3' ' CG2' ' A' ' 118' ' ' VAL . . . -98.44 148.11 24.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.824 0.345 . . . . 0.0 111.105 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.464 ' HB3' ' CZ3' ' A' ' 51' ' ' TRP . 7.1 ttt180 -122.1 141.7 51.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 28.2 m95 -117.4 103.59 10.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.448 HD23 ' NE ' ' A' ' 123' ' ' ARG . 1.7 pp -125.67 169.96 12.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . 0.456 HG22 ' HG3' ' A' ' 35' ' ' GLN . 22.7 p -78.27 161.97 26.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -51.45 -43.78 62.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -65.99 -46.8 76.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -50.58 -45.61 57.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.617 ' CE1' ' CZ ' ' A' ' 53' ' ' PHE . 25.1 t80 -50.76 -53.89 28.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.877 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -42.5 -53.4 4.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.855 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 51.9 p -70.86 -33.78 70.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.179 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.879 ' O ' HG23 ' A' ' 135' ' ' VAL . . . -52.39 139.55 24.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.033 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -54.77 96.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.879 HG23 ' O ' ' A' ' 133' ' ' ALA . 3.1 t -132.76 137.85 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 7.9 p -64.94 157.2 28.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.821 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.733 HG22 ' HD2' ' A' ' 141' ' ' LYS . 47.7 m -49.55 -57.76 6.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -45.58 -70.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.033 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' MET . . . . . 0.563 ' HB2' HG12 ' A' ' 135' ' ' VAL . 39.0 mmm -46.02 -46.33 16.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.467 ' CG ' ' HB ' ' A' ' 135' ' ' VAL . 73.6 mttt -57.06 -31.43 65.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.733 ' HD2' HG22 ' A' ' 137' ' ' THR . 15.7 mtpp -73.59 -41.28 63.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.597 HG13 HG22 ' A' ' 104' ' ' VAL . 69.2 t -53.89 -15.4 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.138 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.446 ' O ' ' N ' ' A' ' 146' ' ' TYR . 87.5 t80 -82.38 -70.2 0.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.912 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -39.71 -29.99 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.4 ' N ' ' O ' ' A' ' 143' ' ' PHE . 86.7 t -69.62 -43.21 80.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . 0.446 ' N ' ' O ' ' A' ' 143' ' ' PHE . 2.4 t80 -66.11 -46.32 78.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -39.25 -55.26 1.71 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -88.87 72.97 2.21 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.476 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . 0.413 ' CG ' ' O ' ' A' ' 149' ' ' GLN . 19.3 pt20 -72.05 107.17 4.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.783 0.325 . . . . 0.0 110.955 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 54.5 m -132.71 81.53 1.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 50.19 179.68 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.497 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 162.61 41.45 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.714 2.276 . . . . 0.0 112.338 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 78.0 p -57.61 119.13 6.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.898 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 91.6 p -106.39 147.83 28.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.796 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.518 -179.988 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 m -61.33 141.04 57.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.898 0.38 . . . . 0.0 110.854 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.8 p -77.65 -58.8 3.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.838 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.27 100.1 2.63 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.498 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.2 m -124.31 144.75 49.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.861 0.362 . . . . 0.0 110.923 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -141.93 156.23 45.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -50.56 164.37 0.77 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.541 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.84 -1.71 9.0 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.655 2.237 . . . . 0.0 112.334 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 35.8 mtm-85 -52.45 -60.9 2.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 50.0 mttp -132.52 171.87 13.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 12' ' ' SER . . . -116.49 39.98 3.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.074 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 11' ' ' ALA . 68.0 m -34.96 -54.55 0.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -112.8 -58.2 2.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.5 mmmt -116.99 147.54 40.34 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.583 0.706 . . . . 0.0 110.932 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 168.22 22.18 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.674 2.249 . . . . 0.0 112.333 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.5 Cg_endo -69.74 -25.26 28.89 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.699 2.266 . . . . 0.0 112.288 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 16' ' ' PRO . 37.9 mtp180 -35.82 -71.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.938 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -85.3 117.84 24.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -149.92 112.65 4.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.409 ' C ' ' HB2' ' A' ' 58' ' ' TRP . 14.6 m -116.32 140.34 49.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.6 m -154.43 157.35 38.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.887 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -121.18 105.03 10.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.127 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.8 t -99.0 140.4 33.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.174 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 46.4 t -113.44 162.91 15.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 74.0 t -117.72 88.82 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.541 HD23 HD22 ' A' ' 37' ' ' LEU . 28.4 tp -74.31 123.63 24.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.983 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -136.17 145.02 45.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.512 ' HG3' HD12 ' A' ' 109' ' ' LEU . 10.2 tt0 -140.2 140.87 24.56 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.609 0.719 . . . . 0.0 110.888 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.464 ' HD2' ' CG ' ' A' ' 28' ' ' GLN . 54.7 Cg_endo -69.71 133.28 25.27 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.673 2.249 . . . . 0.0 112.408 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -126.23 -144.92 6.24 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.48 -65.01 1.04 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.759 0.314 . . . . 0.0 111.047 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.1 mt -57.98 -42.26 84.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.854 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.52 -78.74 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.474 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.45 146.71 13.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.679 0.276 . . . . 0.0 111.118 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -131.31 158.86 39.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.7 pt -109.93 176.52 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.134 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.541 HD22 HD23 ' A' ' 26' ' ' LEU . 6.3 tp -111.65 140.97 45.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.485 ' CD2' ' HB3' ' A' ' 51' ' ' TRP . 9.4 tp -132.88 144.29 50.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.94 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.453 HG11 ' CE2' ' A' ' 76' ' ' TRP . 4.5 m -119.24 159.39 20.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -106.79 130.37 54.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.4 mmp_? -72.45 155.58 91.1 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.596 0.713 . . . . 0.0 110.832 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 161.73 44.81 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.657 2.238 . . . . 0.0 112.368 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -80.06 73.29 6.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.927 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 t -161.79 127.35 3.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.809 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.59 148.4 16.85 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.447 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.2 mt -55.07 153.09 6.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.918 0.39 . . . . 0.0 110.942 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 14.3 tp 62.19 38.28 13.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.919 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.496 ' O ' ' CD2' ' A' ' 50' ' ' LEU . . . -95.48 166.64 11.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.601 ' C ' HD22 ' A' ' 50' ' ' LEU . . . 74.76 28.61 62.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.477 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.601 HD22 ' C ' ' A' ' 49' ' ' GLY . 2.9 mm? -115.3 141.99 47.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.848 0.356 . . . . 0.0 110.904 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.485 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 61.2 m95 -76.84 133.5 39.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.405 ' O ' HG22 ' A' ' 39' ' ' VAL . 5.1 mt-10 -153.02 170.06 21.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.57 ' CZ ' ' CE2' ' A' ' 130' ' ' PHE . 22.7 m-85 -76.6 143.91 72.72 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.639 0.733 . . . . 0.0 110.862 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 139.27 39.82 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.675 2.25 . . . . 0.0 112.359 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 77.3 p -146.71 167.87 22.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.4 m -126.62 177.76 5.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.181 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 29.4 p -66.49 128.41 36.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.114 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.409 ' HB2' ' C ' ' A' ' 20' ' ' SER . 80.0 t90 -44.27 150.8 0.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.431 ' HG3' ' C ' ' A' ' 64' ' ' LEU . 26.6 mm-40 -130.06 136.22 28.7 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.611 0.72 . . . . 0.0 110.897 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -21.77 33.24 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.749 2.3 . . . . 0.0 112.303 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 t -107.14 143.59 35.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.888 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -63.77 -20.78 66.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.852 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.3 tp60 -87.14 -54.41 4.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.431 ' C ' ' HG3' ' A' ' 59' ' ' GLU . 1.9 mp -50.58 -32.19 17.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -64.04 -66.71 0.51 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.962 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.613 ' HB3' HD23 ' A' ' 85' ' ' LEU . 34.0 mtm180 -59.53 -29.25 67.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.819 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.4 mtmt -62.14 -60.24 3.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.15 -31.11 68.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.586 HD23 HD21 ' A' ' 85' ' ' LEU . 15.2 tp -53.76 -57.78 9.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.916 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.43 HD22 ' HB3' ' A' ' 80' ' ' LEU . 91.5 mt -58.94 -50.02 75.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -40.89 -34.34 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -79.98 -56.72 4.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 30.7 mt -41.38 -47.16 3.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.954 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -53.6 -37.73 63.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -54.43 -30.32 52.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.453 ' CE2' HG11 ' A' ' 39' ' ' VAL . 61.7 m95 -93.68 -71.6 0.65 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.94 -71.7 0.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.106 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 145.31 -98.62 0.2 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.508 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.431 ' C ' HD22 ' A' ' 80' ' ' LEU . 53.6 Cg_endo -69.84 106.34 1.66 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.671 2.247 . . . . 0.0 112.353 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.431 HD22 ' C ' ' A' ' 79' ' ' PRO . 4.5 mm? -121.37 127.24 26.21 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.61 0.719 . . . . 0.0 110.935 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.646 ' HG2' HD21 ' A' ' 107' ' ' LEU . 53.7 Cg_endo -69.64 -177.62 1.92 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.675 2.25 . . . . 0.0 112.359 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -124.7 -57.75 1.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.032 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 27.7 m -55.6 -44.66 77.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -54.67 -35.11 63.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.613 HD23 ' HB3' ' A' ' 66' ' ' ARG . 37.5 tp -63.92 130.15 42.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 -151.79 164.08 37.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.658 ' C ' HD23 ' A' ' 88' ' ' LEU . 7.7 t-80 -99.69 124.74 45.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.832 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.658 HD23 ' C ' ' A' ' 87' ' ' HIS . 1.9 mt -126.51 95.36 4.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 68.75 177.07 13.22 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.469 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -134.57 165.09 26.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.844 0.354 . . . . 0.0 110.907 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.761 HG21 ' HA ' ' A' ' 142' ' ' VAL . 58.5 t -137.91 112.05 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.084 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.434 HG13 ' O ' ' A' ' 100' ' ' LEU . 55.5 t -125.73 106.84 16.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.126 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.706 ' CD2' ' CE1' ' A' ' 95' ' ' PHE . 15.3 t60 -100.94 135.4 42.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.77 119.12 37.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.207 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.706 ' CE1' ' CD2' ' A' ' 93' ' ' HIS . 70.4 m-85 -104.28 178.96 4.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.402 ' O ' ' CG ' ' A' ' 97' ' ' HIS . 22.9 t -52.86 116.34 2.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.797 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.402 ' CG ' ' O ' ' A' ' 96' ' ' SER . 25.5 p-80 42.22 28.83 0.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.519 HG22 ' N ' ' A' ' 99' ' ' LYS . 73.0 mt -138.77 159.72 30.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.519 ' N ' HG22 ' A' ' 98' ' ' ILE . 5.0 ttpt -139.03 127.19 22.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.929 179.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.434 ' O ' HG13 ' A' ' 92' ' ' VAL . 3.6 mm? -118.05 143.12 46.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.931 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 92.8 m -129.76 111.15 12.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.104 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -112.1 132.38 54.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.956 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -98.04 115.2 27.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.836 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.653 ' CG2' HG23 ' A' ' 91' ' ' VAL . 67.4 t -71.17 123.93 26.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.065 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -134.99 103.92 5.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -84.67 134.66 12.85 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.646 HD21 ' HG2' ' A' ' 81' ' ' PRO . 3.3 tm? -151.69 115.38 4.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 110.925 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -131.78 157.18 44.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.512 HD12 ' HG3' ' A' ' 28' ' ' GLN . 67.4 mt -88.89 106.59 18.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.974 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -47.86 -44.13 29.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.974 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 155.73 49.88 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.487 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.509 ' O ' HG23 ' A' ' 113' ' ' THR . 3.3 mt-30 -95.0 -69.75 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 0.0 110.856 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.509 HG23 ' O ' ' A' ' 112' ' ' GLN . 34.3 p -159.52 142.46 10.32 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.558 0.694 . . . . 0.0 111.19 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -168.6 0.28 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.688 2.258 . . . . 0.0 112.37 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.431 ' O ' ' C ' ' A' ' 116' ' ' THR . 7.5 p -120.72 -39.48 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 115' ' ' VAL . 5.8 p 34.6 45.02 0.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 80.1 m -165.89 120.94 1.23 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.149 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.667 ' CG2' ' HB3' ' A' ' 122' ' ' ALA . 13.5 p -144.88 136.08 12.52 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.577 0.703 . . . . 0.0 111.205 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.505 ' HD2' HG23 ' A' ' 118' ' ' VAL . 53.6 Cg_endo -69.72 165.56 30.51 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.744 2.296 . . . . 0.0 112.288 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 97.23 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.724 2.283 . . . . 0.0 112.33 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 146.04 -10.26 1.58 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.486 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.667 ' HB3' ' CG2' ' A' ' 118' ' ' VAL . . . -114.16 153.96 28.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.341 . . . . 0.0 111.09 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.419 ' HB3' ' CZ3' ' A' ' 51' ' ' TRP . 11.8 ttm-85 -132.63 148.67 52.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 37.1 m95 -112.38 101.47 9.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.957 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.447 ' HB2' ' CB ' ' A' ' 129' ' ' GLU . 1.5 pp -120.96 169.54 10.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.945 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 5.3 p -91.07 164.47 13.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.421 ' H ' ' CD ' ' A' ' 127' ' ' GLN . 2.0 mp0 -48.78 -47.11 42.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -61.83 -38.85 89.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.447 ' CB ' ' HB2' ' A' ' 125' ' ' LEU . 36.5 mm-40 -63.93 -47.25 81.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.67 ' O ' ' HB3' ' A' ' 133' ' ' ALA . 9.7 t80 -49.78 -55.32 14.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.823 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 130' ' ' PHE . 3.2 m-70 -38.21 -63.19 0.51 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 64.0 p -57.9 -27.45 63.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.187 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.67 ' HB3' ' O ' ' A' ' 130' ' ' PHE . . . -57.07 153.59 11.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.075 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.411 ' HB1' HD12 ' A' ' 50' ' ' LEU . . . -80.24 99.64 7.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.143 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.775 HG12 ' HB2' ' A' ' 139' ' ' MET . 0.5 OUTLIER -130.91 158.49 43.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 137' ' ' THR . 3.6 p -85.46 149.27 25.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.811 HG22 ' HE2' ' A' ' 141' ' ' LYS . 55.5 m -34.42 -68.6 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.185 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.47 ' O ' HG23 ' A' ' 142' ' ' VAL . . . -38.61 -59.42 0.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' MET . . . . . 0.775 ' HB2' HG12 ' A' ' 135' ' ' VAL . 44.5 mmm -58.96 -29.23 67.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.927 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 137' ' ' THR . 14.0 mtpt -76.74 -31.63 57.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.879 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.811 ' HE2' HG22 ' A' ' 137' ' ' THR . 0.1 OUTLIER -89.76 -11.66 41.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.761 ' HA ' HG21 ' A' ' 91' ' ' VAL . 3.7 t -74.61 -18.8 16.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.487 ' CZ ' ' CD ' ' A' ' 147' ' ' GLN . 38.7 t80 -91.23 -47.52 7.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.5 -19.26 14.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.857 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.524 HG11 HG21 ' A' ' 104' ' ' VAL . 30.3 t -82.75 -19.28 10.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.094 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . 0.484 ' HD1' HD12 ' A' ' 88' ' ' LEU . 1.5 t80 -94.29 -31.08 14.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.941 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . 0.487 ' CD ' ' CZ ' ' A' ' 143' ' ' PHE . 19.3 mt-30 -63.36 -37.85 88.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -90.96 43.36 2.85 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.483 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . 0.55 ' CB ' HD13 ' A' ' 88' ' ' LEU . 35.3 mm-40 -141.18 171.26 14.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.749 0.309 . . . . 0.0 110.972 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 3.6 m -63.61 173.65 1.61 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.831 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 123.9 -70.95 0.44 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.484 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 -11.63 31.14 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.685 2.257 . . . . 0.0 112.35 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 54.1 p -72.13 108.22 5.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.776 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 39.7 t -92.29 115.1 27.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.862 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.391 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.528 -179.986 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.1 p -106.1 -56.4 2.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.937 0.399 . . . . 0.0 110.883 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.7 p -53.49 141.74 24.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.774 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.85 -60.47 0.46 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.48 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.0 p 39.54 37.31 0.29 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.877 0.37 . . . . 0.0 110.825 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.4 m -89.01 110.87 21.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.81 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.73 -149.64 19.57 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.455 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 2.46 3.54 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.63 2.22 . . . . 0.0 112.348 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.5 mtm180 -97.59 54.76 1.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 11' ' ' ALA . 39.1 pttt -72.04 -175.18 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 10' ' ' LYS . . . -34.51 -51.89 0.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.092 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.457 ' O ' ' C ' ' A' ' 13' ' ' ARG . 76.6 p -114.4 101.3 9.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.854 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.457 ' C ' ' O ' ' A' ' 12' ' ' SER . 8.9 ptt180 -33.92 144.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.936 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.1 mmmm -149.53 155.95 39.07 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.594 0.711 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 152.87 69.39 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.677 2.251 . . . . 0.0 112.348 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.1 Cg_endo -69.78 -26.38 27.54 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.683 2.255 . . . . 0.0 112.348 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 16' ' ' PRO . 19.1 mtp180 -33.32 -74.07 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 3.5 tp10 -85.56 119.03 25.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -149.56 112.48 4.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.92 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.2 m -115.77 137.32 52.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.806 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.7 m -154.38 155.47 35.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.865 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -117.94 112.31 20.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.065 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.8 t -103.8 141.78 35.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.787 ' HB3' HD11 ' A' ' 69' ' ' LEU . 16.1 t -125.59 158.68 34.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.411 ' N ' ' SG ' ' A' ' 24' ' ' CYS . 84.6 t -113.35 124.62 70.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.173 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.423 HD23 HD22 ' A' ' 37' ' ' LEU . 12.9 tp -109.51 118.9 37.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -126.62 147.48 49.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.83 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.454 ' HG2' ' CZ3' ' A' ' 124' ' ' TRP . 3.4 pt20 -138.79 149.37 61.79 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.671 0.748 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 117.08 4.87 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.66 2.24 . . . . 0.0 112.333 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -106.75 -160.39 21.91 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.473 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.77 -62.24 1.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.802 0.334 . . . . 0.0 111.07 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 34.3 mt -61.46 -45.85 92.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -168.67 -85.42 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.511 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -156.8 156.19 32.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.723 0.296 . . . . 0.0 111.119 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.491 ' CG ' HG22 ' A' ' 126' ' ' THR . 13.4 mt-30 -139.08 153.44 48.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.6 pt -112.27 173.03 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.121 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.423 HD22 HD23 ' A' ' 26' ' ' LEU . 10.2 tp -103.92 134.3 47.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.458 ' CD2' HD21 ' A' ' 125' ' ' LEU . 10.0 tp -134.86 123.9 24.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.971 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 23.6 m -106.58 157.8 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.214 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -105.14 147.14 28.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.519 HH12 HD23 ' A' ' 47' ' ' LEU . 42.8 mtp180 -85.68 154.48 58.84 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.619 0.723 . . . . 0.0 110.855 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.797 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 54.1 Cg_endo -69.72 170.65 16.03 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.68 2.253 . . . . 0.0 112.388 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -79.78 56.96 2.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.637 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 13.4 t -121.9 130.6 53.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.904 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.38 175.45 42.99 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.503 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.3 mt -69.97 -47.88 60.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.836 0.35 . . . . 0.0 110.861 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.519 HD23 HH12 ' A' ' 41' ' ' ARG . 10.2 tp -88.56 76.56 8.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.938 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.797 ' HB1' ' O ' ' A' ' 42' ' ' PRO . . . -135.99 177.56 7.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.12 10.04 61.39 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.466 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.479 HD12 ' HB1' ' A' ' 134' ' ' ALA . 4.5 mm? -89.41 177.75 6.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.752 0.31 . . . . 0.0 110.973 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.537 ' O ' HG13 ' A' ' 135' ' ' VAL . 79.6 m95 -114.96 124.87 52.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.933 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.406 ' HA ' HG13 ' A' ' 135' ' ' VAL . 1.3 pm0 -153.84 156.11 37.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.685 ' CZ ' ' CE1' ' A' ' 130' ' ' PHE . 24.3 m-85 -58.42 146.82 70.83 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.62 0.724 . . . . 0.0 110.923 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 139.8 41.28 Favored 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.721 2.281 . . . . 0.0 112.368 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 85.4 p -146.08 165.06 30.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.1 m -126.22 171.41 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.7 t -56.32 153.82 9.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 85.2 t90 -68.11 142.45 55.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -125.59 130.35 24.11 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.692 0.758 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -22.96 31.38 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.683 2.256 . . . . 0.0 112.321 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.3 t -95.28 137.09 34.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -59.01 -24.28 62.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -86.2 -62.37 1.53 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.5 mp -39.49 -38.72 0.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -57.65 -54.67 44.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.406 ' NH2' ' O ' ' A' ' 82' ' ' ALA . 65.5 mtp180 -65.43 -52.21 54.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -44.7 -68.09 0.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.939 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.56 -46.85 83.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.069 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.787 HD11 ' HB3' ' A' ' 24' ' ' CYS . 2.3 tp -43.2 -43.53 4.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.511 HD22 ' HB3' ' A' ' 80' ' ' LEU . 53.2 mt -76.11 -48.6 20.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.956 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 70' ' ' LEU . 82.8 mt-30 -35.29 -48.46 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.3 tp10 -66.97 -55.06 16.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.5 mt -41.94 -46.97 4.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -56.2 -43.4 78.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.941 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 47.8 mtp180 -49.47 -32.73 12.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 71.9 m95 -87.11 -69.38 0.69 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.707 ' HB1' HG21 ' A' ' 115' ' ' VAL . . . -76.49 -70.41 0.45 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.081 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 147.76 -102.3 0.24 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.456 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 108.22 2.04 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.636 2.224 . . . . 0.0 112.305 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.511 ' HB3' HD22 ' A' ' 70' ' ' LEU . 4.4 mm? -119.87 132.97 23.87 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.548 0.689 . . . . 0.0 110.914 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.543 ' CG ' HD11 ' A' ' 107' ' ' LEU . 53.8 Cg_endo -69.74 -168.49 0.28 Allowed 'Trans proline' 0 C--N 1.34 0.111 0 C-N-CA 122.68 2.253 . . . . 0.0 112.354 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.406 ' O ' ' NH2' ' A' ' 66' ' ' ARG . . . -132.25 -59.11 0.93 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.136 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 88.0 m -57.77 -42.87 84.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -51.77 -24.92 6.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.822 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.508 ' HB2' HD23 ' A' ' 107' ' ' LEU . 26.7 tp -75.76 129.29 36.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -149.78 149.43 30.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.687 ' O ' HD23 ' A' ' 88' ' ' LEU . 11.2 t-80 -87.14 126.19 34.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.687 HD23 ' O ' ' A' ' 87' ' ' HIS . 7.6 mt -127.66 92.8 3.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 69.07 -170.35 41.3 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.46 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -143.33 170.53 15.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.807 0.337 . . . . 0.0 110.93 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.623 HG21 ' HA ' ' A' ' 142' ' ' VAL . 40.4 t -143.23 105.09 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.627 HG22 HG23 ' A' ' 101' ' ' THR . 90.5 t -118.83 111.86 35.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.092 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.479 ' CD2' ' CE1' ' A' ' 95' ' ' PHE . 27.5 t60 -105.04 147.82 27.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 45.1 m -118.93 114.89 23.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.181 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.479 ' CE1' ' CD2' ' A' ' 93' ' ' HIS . 85.9 m-85 -99.61 -176.49 3.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.49 ' O ' ' CG ' ' A' ' 97' ' ' HIS . 10.9 m -51.42 114.37 1.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.49 ' CG ' ' O ' ' A' ' 96' ' ' SER . 12.4 p-80 43.96 28.26 0.24 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.813 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.463 ' CG2' ' N ' ' A' ' 99' ' ' LYS . 26.8 mt -137.48 156.24 32.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.184 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.463 ' N ' ' CG2' ' A' ' 98' ' ' ILE . 0.0 OUTLIER -137.9 127.03 24.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.835 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.43 ' O ' HG13 ' A' ' 92' ' ' VAL . 1.3 mm? -117.5 142.9 46.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.972 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.627 HG23 HG22 ' A' ' 92' ' ' VAL . 35.0 m -127.76 111.27 13.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.158 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.411 ' CE1' HD12 ' A' ' 100' ' ' LEU . 68.2 m-85 -112.15 137.05 50.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -100.31 120.28 39.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.698 HG21 HG11 ' A' ' 145' ' ' VAL . 59.1 t -73.81 127.41 35.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.134 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -136.88 137.6 39.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -113.71 148.69 18.69 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.508 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.543 HD11 ' CG ' ' A' ' 81' ' ' PRO . 0.4 OUTLIER -162.44 106.51 1.15 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.776 0.322 . . . . 0.0 110.888 -179.879 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -124.23 140.86 52.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.078 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 85.3 mt -84.98 104.82 15.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.972 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -48.55 -22.28 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 125.19 46.49 0.23 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.554 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -88.5 -69.75 0.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.358 . . . . 0.0 110.844 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 6.4 p -146.06 140.4 15.5 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.486 0.66 . . . . 0.0 111.185 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 171.32 14.68 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.664 2.243 . . . . 0.0 112.34 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.707 HG21 ' HB1' ' A' ' 77' ' ' ALA . 5.9 p -103.86 -41.81 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 115' ' ' VAL . 22.7 p 34.2 45.38 0.12 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 85.3 m -160.89 122.35 2.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.075 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.55 HG22 ' HB3' ' A' ' 122' ' ' ALA . 6.3 p -165.57 135.83 2.88 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.58 0.705 . . . . 0.0 111.131 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.463 ' HD2' ' CG2' ' A' ' 118' ' ' VAL . 53.6 Cg_endo -69.77 168.5 21.4 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.685 2.257 . . . . 0.0 112.325 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 -0.28 6.67 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.701 2.267 . . . . 0.0 112.294 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -100.43 -5.22 54.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.53 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.55 ' HB3' HG22 ' A' ' 118' ' ' VAL . . . -126.19 150.33 48.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.728 0.299 . . . . 0.0 111.096 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -132.18 153.18 50.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.829 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' TRP . . . . . 0.454 ' CZ3' ' HG2' ' A' ' 28' ' ' GLN . 31.6 m95 -111.47 100.56 9.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.458 HD21 ' CD2' ' A' ' 38' ' ' LEU . 2.6 pp -115.4 170.06 8.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . 0.491 HG22 ' CG ' ' A' ' 35' ' ' GLN . 4.5 p -87.15 167.39 14.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.149 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -52.04 -41.2 62.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -67.6 -50.94 55.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.946 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -52.93 -37.37 60.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.685 ' CE1' ' CZ ' ' A' ' 53' ' ' PHE . 4.0 t80 -55.25 -56.2 22.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -51.35 -45.01 62.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.805 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 20.4 p -75.04 -7.43 53.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 130' ' ' PHE . . . -80.89 176.26 9.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.016 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.479 ' HB1' HD12 ' A' ' 50' ' ' LEU . . . -94.73 95.79 8.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.761 HG12 ' HB2' ' A' ' 139' ' ' MET . 0.5 OUTLIER -125.73 157.79 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.159 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 139' ' ' MET . 2.5 m -83.78 141.7 31.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.647 HG22 ' HE3' ' A' ' 141' ' ' LYS . 97.0 m -33.4 -69.26 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.188 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.731 ' O ' HG23 ' A' ' 142' ' ' VAL . . . -40.31 -40.62 1.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' MET . . . . . 0.761 ' HB2' HG12 ' A' ' 135' ' ' VAL . 20.6 mmm -72.19 -39.91 68.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.838 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 137' ' ' THR . 3.0 mtpm? -66.11 -22.22 66.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.952 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.647 ' HE3' HG22 ' A' ' 137' ' ' THR . 8.6 ptpt -96.11 -10.18 28.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 138' ' ' ALA . 8.8 t -76.94 -25.59 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.505 ' CZ ' ' HG3' ' A' ' 147' ' ' GLN . 83.4 t80 -77.73 -57.19 3.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.45 ' CD ' ' HA ' ' A' ' 141' ' ' LYS . 6.9 ptm180 -46.95 -26.87 1.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.698 HG11 HG21 ' A' ' 104' ' ' VAL . 96.5 t -80.23 -36.6 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . 0.561 ' CE2' ' OE1' ' A' ' 147' ' ' GLN . 2.2 t80 -69.43 -32.36 71.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . 0.561 ' OE1' ' CE2' ' A' ' 146' ' ' TYR . 12.3 mm100 -89.46 -45.03 9.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -41.73 -32.53 0.91 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.519 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -93.91 107.01 18.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.832 0.348 . . . . 0.0 110.867 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 2.8 t 42.09 49.7 4.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -90.54 -93.68 1.24 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.484 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 148.83 66.06 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.755 2.303 . . . . 0.0 112.325 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 22.1 p -164.28 126.64 2.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.0 t -131.69 87.51 2.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.476 179.978 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.3 t -82.87 109.05 16.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.91 0.386 . . . . 0.0 110.857 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 t 42.38 43.98 3.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.87 60.43 0.66 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.505 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.7 m -60.81 175.96 0.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 110.874 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.0 p -160.08 127.37 4.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.16 -166.57 28.98 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 1.04 4.84 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.68 2.253 . . . . 0.0 112.312 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.3 ttm-85 -90.27 -45.96 8.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.957 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -75.12 -52.97 9.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.963 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -43.9 -58.9 2.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.077 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.8 m -158.23 172.31 18.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -88.35 23.9 2.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.2 mmtt -97.9 152.38 38.05 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.531 0.682 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 169.41 19.0 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.725 2.284 . . . . 0.0 112.302 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -25.52 28.42 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.69 2.26 . . . . 0.0 112.266 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.4 mtt180 -38.13 -59.25 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -97.02 100.21 11.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -139.31 113.48 8.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.942 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.3 m -114.87 147.3 40.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.811 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 24.4 m -155.25 153.12 30.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.853 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -117.64 109.38 16.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.088 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.5 t -102.91 139.62 38.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.164 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.471 ' SG ' ' N ' ' A' ' 25' ' ' VAL . 1.4 t -118.44 159.34 23.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.471 ' N ' ' SG ' ' A' ' 24' ' ' CYS . 69.5 t -113.55 87.74 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 27.6 tp -73.12 122.55 22.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -126.27 154.06 43.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.929 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -138.63 150.7 66.89 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.628 0.728 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 121.32 8.01 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.676 2.25 . . . . 0.0 112.312 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -114.85 147.37 18.89 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.538 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -45.87 -66.85 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.805 0.336 . . . . 0.0 111.053 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.7 mt -60.51 -39.88 89.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.958 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -167.79 -104.59 0.18 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.457 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -160.39 147.53 15.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.69 0.281 . . . . 0.0 111.174 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -132.71 158.54 42.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.426 HD12 ' CE1' ' A' ' 53' ' ' PHE . 3.6 pt -113.96 175.11 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.544 HD13 ' NE1' ' A' ' 124' ' ' TRP . 21.0 tp -101.62 149.85 23.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.966 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.694 HD22 HD21 ' A' ' 125' ' ' LEU . 10.4 tp -145.42 121.82 10.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.9 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.4 m -106.63 145.02 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.179 179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.483 ' HB2' ' CZ3' ' A' ' 51' ' ' TRP . 52.4 tt0 -100.41 158.27 16.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 49.3 mtt-85 -107.55 159.07 31.6 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.619 0.723 . . . . 0.0 110.891 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.64 151.38 69.76 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.639 2.226 . . . . 0.0 112.389 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -66.44 127.4 32.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 45' ' ' GLY . 3.2 m -166.96 158.11 12.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 44' ' ' SER . . . 36.37 -138.74 0.37 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.434 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 42.9 mt -98.3 -66.92 0.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.359 . . . . 0.0 110.881 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.507 HD13 HD23 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -74.84 97.06 3.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.56 ' O ' HD22 ' A' ' 50' ' ' LEU . . . -163.77 176.5 9.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.24 3.97 48.25 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.489 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.56 HD22 ' O ' ' A' ' 48' ' ' ALA . 3.5 mm? -79.51 160.92 26.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.35 . . . . 0.0 110.932 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.832 ' O ' HG13 ' A' ' 135' ' ' VAL . 97.6 m95 -98.21 131.22 44.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.427 ' CB ' ' HG3' ' A' ' 139' ' ' MET . 1.2 pm0 -158.65 148.23 19.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.601 ' CZ ' ' CE2' ' A' ' 130' ' ' PHE . 5.5 m-85 -51.05 151.23 4.79 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.689 0.757 . . . . 0.0 110.838 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.414 ' HG2' HD21 ' A' ' 73' ' ' LEU . 53.7 Cg_endo -69.81 143.95 52.25 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.764 2.309 . . . . 0.0 112.306 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 75.8 p -146.52 168.5 21.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.48 HG12 ' CB ' ' A' ' 72' ' ' GLU . 5.2 m -133.45 173.49 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.044 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.5 p -55.88 143.5 31.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.196 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.498 ' CH2' ' HA ' ' A' ' 60' ' ' PRO . 80.1 t90 -60.51 164.07 4.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.954 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.445 ' N ' ' CG ' ' A' ' 58' ' ' TRP . 38.0 mm-40 -143.5 134.65 12.58 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.596 0.712 . . . . 0.0 110.895 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.498 ' HA ' ' CH2' ' A' ' 58' ' ' TRP . 54.0 Cg_endo -69.67 -21.84 33.33 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.643 2.229 . . . . 0.0 112.405 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.6 t -106.49 156.54 18.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -71.71 -36.6 70.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -73.36 -51.63 16.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.849 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.1 mp -51.05 -36.25 38.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.431 ' NE2' ' HA ' ' A' ' 65' ' ' GLN . 6.4 tp60 -62.05 -57.7 10.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.917 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -59.96 -49.19 78.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.3 mtmp? -42.82 -67.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.507 ' O ' ' N ' ' A' ' 70' ' ' LEU . . . -61.61 -55.28 32.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.864 HD23 HD21 ' A' ' 85' ' ' LEU . 20.1 tp -34.84 -31.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.755 HD22 ' HB3' ' A' ' 80' ' ' LEU . 90.7 mt -90.47 -43.41 10.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 68' ' ' ALA . 5.6 pt20 -46.85 -26.54 1.0 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.48 ' CB ' HG12 ' A' ' 56' ' ' VAL . 6.6 tp10 -91.57 -46.51 7.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.414 HD21 ' HG2' ' A' ' 54' ' ' PRO . 11.6 mt -50.51 -48.88 56.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -52.19 -43.5 64.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.969 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -51.91 -32.75 33.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.446 ' O ' ' CD ' ' A' ' 119' ' ' PRO . 81.0 m95 -88.7 -67.21 0.85 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.956 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.459 ' HA ' HG21 ' A' ' 115' ' ' VAL . . . -79.19 -72.78 0.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.049 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 150.08 -100.16 0.2 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.469 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.549 ' O ' HD22 ' A' ' 80' ' ' LEU . 53.7 Cg_endo -69.79 112.6 3.13 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.684 2.256 . . . . 0.0 112.313 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.755 ' HB3' HD22 ' A' ' 70' ' ' LEU . 4.4 mm? -126.28 124.08 24.38 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.643 0.735 . . . . 0.0 110.898 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.921 ' HG2' HD21 ' A' ' 107' ' ' LEU . 54.1 Cg_endo -69.71 168.75 20.6 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.622 2.215 . . . . 0.0 112.338 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -113.69 -52.21 2.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.687 HG23 ' HD2' ' A' ' 84' ' ' HIS . 0.8 OUTLIER -68.25 -32.35 72.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 -179.905 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.687 ' HD2' HG23 ' A' ' 83' ' ' THR . 17.5 m170 -60.9 -36.22 78.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.864 HD21 HD23 ' A' ' 69' ' ' LEU . 21.7 tp -59.77 153.18 21.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 28.1 ptt-85 -167.31 157.79 11.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.84 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -93.4 117.33 29.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.823 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.595 HD13 ' HB2' ' A' ' 149' ' ' GLN . 16.7 mt -122.2 91.89 3.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.98 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.72 -175.91 21.46 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.477 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -149.47 169.35 21.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.859 0.361 . . . . 0.0 110.916 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.456 HG23 ' CG2' ' A' ' 104' ' ' VAL . 87.0 t -141.69 107.87 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.122 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.677 HG22 HG23 ' A' ' 101' ' ' THR . 27.5 t -113.66 107.08 22.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.145 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.686 ' CD2' ' CE1' ' A' ' 95' ' ' PHE . 9.7 t60 -101.61 157.27 16.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.834 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.576 ' N ' ' CD2' ' A' ' 93' ' ' HIS . 19.3 m -126.84 123.89 38.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.188 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.686 ' CE1' ' CD2' ' A' ' 93' ' ' HIS . 29.1 m-85 -107.73 -179.85 4.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.539 ' O ' ' N ' ' A' ' 98' ' ' ILE . 5.6 m -48.25 125.38 9.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.587 ' O ' ' CG ' ' A' ' 97' ' ' HIS . 0.7 OUTLIER 34.62 30.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.851 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.539 ' N ' ' O ' ' A' ' 96' ' ' SER . 52.3 mt -146.0 157.62 12.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.155 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.491 ' N ' HG22 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -139.78 130.69 26.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.825 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.474 ' N ' ' HD2' ' A' ' 99' ' ' LYS . 3.6 mm? -115.58 152.73 32.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.95 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.677 HG23 HG22 ' A' ' 92' ' ' VAL . 96.0 m -135.38 111.4 9.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.128 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -110.09 134.39 52.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 51.5 mm-40 -102.32 115.71 31.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.925 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.789 HG22 HG13 ' A' ' 142' ' ' VAL . 51.8 t -71.72 127.04 33.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.068 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -139.18 121.61 16.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -97.17 140.74 15.22 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.47 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.921 HD21 ' HG2' ' A' ' 81' ' ' PRO . 2.1 tm? -155.09 119.3 4.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.797 0.332 . . . . 0.0 110.925 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.578 ' N ' HD13 ' A' ' 107' ' ' LEU . . . -126.05 156.7 39.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 26.1 mt -91.44 128.37 37.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -72.67 -61.9 1.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 167.79 73.3 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.489 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 62.5 mm-40 -126.31 -64.5 1.03 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.924 0.392 . . . . 0.0 110.899 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 5.2 p -150.49 128.37 5.77 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-O 121.56 0.695 . . . . 0.0 111.076 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 173.06 11.49 Favored 'Trans proline' 0 N--CA 1.464 -0.209 0 C-N-CA 122.72 2.28 . . . . 0.0 112.356 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.801 HG11 ' CZ2' ' A' ' 124' ' ' TRP . 7.2 p -120.39 44.93 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.177 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.407 ' H ' HG22 ' A' ' 116' ' ' THR . 0.1 OUTLIER -59.64 -4.52 0.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.176 -179.926 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.419 ' H ' ' C ' ' A' ' 115' ' ' VAL . 6.9 m -110.65 109.01 19.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.632 ' CG2' ' HB3' ' A' ' 122' ' ' ALA . 13.1 p -124.75 136.71 28.3 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.677 0.751 . . . . 0.0 111.155 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.494 ' HD2' HG23 ' A' ' 118' ' ' VAL . 53.8 Cg_endo -69.75 167.43 24.44 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.705 2.27 . . . . 0.0 112.292 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 108.44 2.07 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.669 2.246 . . . . 0.0 112.341 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 134.26 -13.41 4.62 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.561 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.632 ' HB3' ' CG2' ' A' ' 118' ' ' VAL . . . -110.52 152.59 26.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.709 0.29 . . . . 0.0 111.174 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 11.6 ttm-85 -134.68 149.75 50.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.826 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' TRP . . . . . 0.801 ' CZ2' HG11 ' A' ' 115' ' ' VAL . 45.0 m95 -119.0 108.33 14.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.694 HD21 HD22 ' A' ' 38' ' ' LEU . 1.6 pp -121.97 169.84 10.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 10.7 p -82.37 167.94 18.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -63.22 -34.86 78.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -75.71 -18.27 59.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -81.36 -49.1 11.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.847 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.601 ' CE2' ' CZ ' ' A' ' 53' ' ' PHE . 15.0 t80 -46.28 -40.21 11.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.825 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -58.74 -41.42 86.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 28.7 p -84.74 -18.07 36.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.079 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -67.24 170.29 7.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.081 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -92.68 97.03 10.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.091 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.832 HG13 ' O ' ' A' ' 51' ' ' TRP . 1.1 t -123.09 154.74 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 137' ' ' THR . 27.2 t -78.09 138.36 38.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.79 HG22 ' HD2' ' A' ' 141' ' ' LYS . 32.2 m -34.4 -69.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.148 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 137' ' ' THR . . . -35.21 -47.59 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.092 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' MET . . . . . 0.539 ' HB2' HG12 ' A' ' 135' ' ' VAL . 34.4 mmm -67.61 -48.31 67.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 11.7 mtpt -56.53 -17.56 8.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.79 ' HD2' HG22 ' A' ' 137' ' ' THR . 5.8 mtpm? -91.03 -18.54 24.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.789 HG13 HG22 ' A' ' 104' ' ' VAL . 71.2 t -76.73 -44.43 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.147 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.417 ' CZ ' ' CD ' ' A' ' 147' ' ' GLN . 37.5 t80 -56.38 -55.14 37.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -53.18 -35.72 60.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 141' ' ' LYS . 75.4 t -72.64 -27.78 26.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.196 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -78.68 -46.41 19.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.918 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . 0.417 ' CD ' ' CZ ' ' A' ' 143' ' ' PHE . 20.7 mt-30 -52.34 -44.6 65.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -40.71 -52.16 3.86 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.527 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . 0.595 ' HB2' HD13 ' A' ' 88' ' ' LEU . 30.0 mm-40 -95.67 93.78 7.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.827 0.346 . . . . 0.0 110.904 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 12.0 t -146.9 176.5 9.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -66.43 175.93 19.93 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.438 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 153' ' ' SER . 53.4 Cg_endo -69.8 -8.54 23.86 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.638 2.225 . . . . 0.0 112.343 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 152' ' ' PRO . 7.5 m -34.6 147.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 30.5 t -144.12 125.38 14.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.509 -179.975 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.539 -0.225 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.6 t -83.77 109.03 17.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.896 0.379 . . . . 0.0 110.88 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.9 p -94.67 164.59 12.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.883 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.42 80.98 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.469 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.7 t -115.83 119.43 35.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.011 0.434 . . . . 0.0 110.864 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 t -152.73 139.3 18.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.87 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.15 -169.49 42.24 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.467 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -50.02 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.658 2.238 . . . . 0.0 112.322 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.3 mtp180 -127.94 152.37 47.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.487 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 20.6 mtpp -55.76 123.85 15.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 10' ' ' LYS . . . 70.89 42.17 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.146 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.9 t -117.91 148.87 41.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -110.56 -42.75 4.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.818 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -82.54 151.41 65.16 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.531 0.681 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 169.56 18.55 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.704 2.27 . . . . 0.0 112.3 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.5 Cg_endo -69.76 -26.43 27.56 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.763 2.309 . . . . 0.0 112.286 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 16' ' ' PRO . 18.4 mtm180 -37.85 -37.82 0.26 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -107.3 100.19 9.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -143.59 113.62 7.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.4 m -124.93 138.41 54.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.808 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.0 m -155.75 156.43 34.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -122.88 108.05 12.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.068 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.484 ' CG2' HG11 ' A' ' 142' ' ' VAL . 14.5 t -96.31 149.19 21.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.463 ' HB2' HD21 ' A' ' 69' ' ' LEU . 3.9 t -124.8 151.2 45.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.492 HG11 ' CD2' ' A' ' 146' ' ' TYR . 93.4 t -101.71 113.42 37.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.603 HD23 HD22 ' A' ' 37' ' ' LEU . 61.0 tp -98.43 104.03 16.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -116.7 142.25 47.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.563 ' HG2' HD12 ' A' ' 109' ' ' LEU . 81.0 mt-30 -130.18 147.77 67.07 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.611 0.72 . . . . 0.0 110.954 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 121.37 8.06 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.685 2.256 . . . . 0.0 112.319 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -114.84 170.34 13.22 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.458 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.84 -52.14 66.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.842 0.353 . . . . 0.0 111.14 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 84.8 mt -68.96 -42.76 76.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.1 -94.38 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -148.09 163.29 37.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.694 0.283 . . . . 0.0 111.148 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.561 ' HG3' HG22 ' A' ' 126' ' ' THR . 1.1 mp0 -151.51 138.36 18.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.481 HD11 ' HA ' ' A' ' 127' ' ' GLN . 1.7 pt -100.7 175.67 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.122 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.603 HD22 HD23 ' A' ' 26' ' ' LEU . 27.9 tp -108.74 142.73 38.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.485 ' CD2' ' HB3' ' A' ' 51' ' ' TRP . 8.3 tp -136.14 137.88 41.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.413 HG12 ' HB2' ' A' ' 122' ' ' ALA . 27.7 m -131.09 139.49 50.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.144 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -70.48 156.22 39.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -95.08 153.93 39.7 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.661 0.743 . . . . 0.0 110.83 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 160.35 50.0 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.613 2.209 . . . . 0.0 112.361 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -72.01 89.12 1.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.0 m -173.31 123.81 0.39 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.74 164.32 38.96 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.436 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.628 HD23 ' H ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -58.52 157.03 9.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.815 0.341 . . . . 0.0 110.963 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.45 ' O ' HD23 ' A' ' 50' ' ' LEU . 2.8 mp 53.53 49.98 18.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -87.63 139.63 30.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.048 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.781 ' C ' HD22 ' A' ' 50' ' ' LEU . . . 88.73 46.99 4.38 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.471 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.781 HD22 ' C ' ' A' ' 49' ' ' GLY . 2.5 mm? -123.95 149.71 45.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.791 0.329 . . . . 0.0 110.902 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.485 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 57.9 m95 -75.79 108.65 8.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -132.82 160.4 37.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.701 ' CZ ' ' CE2' ' A' ' 130' ' ' PHE . 25.1 m-85 -67.04 145.5 98.87 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.573 0.701 . . . . 0.0 110.965 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 139.66 40.73 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.625 2.216 . . . . 0.0 112.377 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 65.2 p -146.69 172.04 14.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.455 HG12 ' HB2' ' A' ' 72' ' ' GLU . 9.8 m -129.33 178.66 4.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.5 t -65.09 145.8 55.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 76.6 t90 -56.26 153.88 8.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.974 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -138.22 130.6 16.17 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.613 0.721 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -27.48 26.26 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.59 2.193 . . . . 0.0 112.355 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.6 m -94.06 150.28 20.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -68.86 -35.46 76.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -77.95 -57.42 3.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.964 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.8 mp -41.07 -42.46 1.97 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.95 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.452 ' NE2' ' HA ' ' A' ' 65' ' ' GLN . 0.0 OUTLIER -56.92 -54.0 51.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.893 179.919 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.452 ' NH2' ' O ' ' A' ' 85' ' ' LEU . 60.7 mtp180 -67.1 -32.25 73.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 56.6 mttt -58.2 -55.58 33.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 71' ' ' GLN . . . -74.0 -48.35 30.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.12 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.823 HD23 HD21 ' A' ' 85' ' ' LEU . 53.2 tp -33.71 -36.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 68' ' ' ALA . 94.8 mt -85.65 -44.35 12.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.846 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 68' ' ' ALA . 0.1 OUTLIER -40.96 -31.36 0.17 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.455 ' HB2' HG12 ' A' ' 56' ' ' VAL . 13.3 tt0 -85.42 -54.38 4.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.82 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.9 mt -42.79 -52.61 4.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -49.66 -43.17 46.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 53.2 mtp85 -55.43 -27.5 48.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 89.2 m95 -90.6 -69.09 0.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -79.21 -73.46 0.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.106 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 156.62 -106.69 0.3 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.464 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.727 ' O ' HD22 ' A' ' 80' ' ' LEU . 53.6 Cg_endo -69.79 115.47 4.11 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.62 2.213 . . . . 0.0 112.372 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.727 HD22 ' O ' ' A' ' 79' ' ' PRO . 3.9 mm? -128.2 127.67 23.75 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.635 0.731 . . . . 0.0 110.871 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.439 ' HG2' HD21 ' A' ' 107' ' ' LEU . 53.8 Cg_endo -69.7 -172.92 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.674 2.25 . . . . 0.0 112.384 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -131.47 -56.02 1.02 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.057 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 40.0 p -59.17 -23.38 62.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 4.2 m170 -72.59 -40.32 66.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.846 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.823 HD21 HD23 ' A' ' 69' ' ' LEU . 56.4 tp -57.64 128.49 37.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.962 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 46.7 mtt85 -145.55 128.14 16.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.471 ' HB2' ' CE1' ' A' ' 105' ' ' TYR . 18.0 t-80 -70.14 122.07 18.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.411 ' O ' HG12 ' A' ' 145' ' ' VAL . 30.5 mt -121.96 94.25 4.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.946 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.444 ' O ' ' NE2' ' A' ' 87' ' ' HIS . . . 69.27 -172.8 37.27 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.516 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -144.58 171.1 14.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.865 0.364 . . . . 0.0 110.901 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.84 HG21 ' HA ' ' A' ' 142' ' ' VAL . 52.2 t -143.34 109.24 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.138 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 44.5 t -120.79 108.93 23.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 63.3 t60 -101.17 115.13 29.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.444 HG22 ' HG3' ' A' ' 99' ' ' LYS . 2.1 p -87.3 109.82 19.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.551 ' CD2' HD23 ' A' ' 100' ' ' LEU . 80.2 m-85 -82.1 175.41 10.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 18.8 m -44.53 -75.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.401 ' C ' HG13 ' A' ' 98' ' ' ILE . 4.6 p-80 -113.59 24.82 11.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.401 HG13 ' C ' ' A' ' 97' ' ' HIS . 18.2 mt -139.58 150.61 22.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.161 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.444 ' HG3' HG22 ' A' ' 94' ' ' THR . 1.0 OUTLIER -124.93 117.9 25.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.917 179.834 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.551 HD23 ' CD2' ' A' ' 95' ' ' PHE . 3.8 mm? -108.8 140.49 42.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 27.7 m -130.08 107.43 9.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.089 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -106.45 133.96 50.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -100.58 118.19 36.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.641 HG22 HG13 ' A' ' 142' ' ' VAL . 58.0 t -75.24 121.79 27.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.124 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.618 ' HB3' HD11 ' A' ' 85' ' ' LEU . 19.2 m-85 -132.17 106.75 8.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.448 ' O ' HD12 ' A' ' 85' ' ' LEU . . . -79.53 146.76 29.04 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.483 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.521 ' C ' HD13 ' A' ' 107' ' ' LEU . 2.2 tm? -166.05 115.67 0.98 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.789 0.328 . . . . 0.0 110.889 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.421 ' N ' HD13 ' A' ' 107' ' ' LEU . . . -136.92 155.39 49.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.592 HD22 ' HB2' ' A' ' 112' ' ' GLN . 84.9 mt -92.42 101.58 14.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.913 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -70.36 -48.77 54.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -156.41 42.48 0.55 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.514 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.592 ' HB2' HD22 ' A' ' 109' ' ' LEU . 22.0 mt-30 -103.38 -176.11 2.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.77 0.319 . . . . 0.0 110.947 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 82.5 p -72.33 136.89 81.26 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.591 0.71 . . . . 0.0 111.098 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 167.57 24.11 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.67 2.247 . . . . 0.0 112.342 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.763 HG22 HG22 ' A' ' 117' ' ' THR . 5.5 p -98.56 -42.63 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.081 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.41 ' N ' HG13 ' A' ' 115' ' ' VAL . 29.4 p 39.36 41.43 0.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.106 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.763 HG22 HG22 ' A' ' 115' ' ' VAL . 9.7 t -165.47 155.22 12.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.601 ' CG2' ' HB3' ' A' ' 122' ' ' ALA . 13.5 p -175.71 135.99 0.49 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.577 0.703 . . . . 0.0 111.169 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.461 ' HD2' HG23 ' A' ' 118' ' ' VAL . 53.6 Cg_endo -69.68 170.06 17.35 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.702 2.268 . . . . 0.0 112.395 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 1.92 4.0 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.719 2.28 . . . . 0.0 112.33 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -114.06 14.97 21.23 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.449 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.601 ' HB3' ' CG2' ' A' ' 118' ' ' VAL . . . -142.95 147.26 34.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.742 0.306 . . . . 0.0 111.074 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.451 ' NH2' ' CG ' ' A' ' 51' ' ' TRP . 15.0 ptt180 -136.57 149.28 48.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 36.5 m95 -109.51 113.12 25.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.409 HD21 HD22 ' A' ' 38' ' ' LEU . 1.5 pp -130.95 169.98 15.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.991 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . 0.561 HG22 ' HG3' ' A' ' 35' ' ' GLN . 26.1 p -80.3 159.66 25.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.135 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.481 ' HA ' HD11 ' A' ' 36' ' ' ILE . 18.5 mt-30 -54.5 -37.6 65.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -68.02 -50.41 55.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -53.59 -36.62 62.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.701 ' CE2' ' CZ ' ' A' ' 53' ' ' PHE . 6.6 t80 -62.28 -53.9 48.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -40.06 -48.13 2.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.838 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 72.9 p -74.31 -37.49 63.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.12 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.62 ' O ' HG23 ' A' ' 135' ' ' VAL . . . -47.65 145.6 2.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.136 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.508 ' HB1' HD12 ' A' ' 50' ' ' LEU . . . -65.75 100.62 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.004 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.694 HG12 ' HB2' ' A' ' 139' ' ' MET . 1.7 t -136.41 152.15 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.168 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 22.7 t -64.77 161.28 18.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.804 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 52.2 m -53.65 -55.92 21.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.111 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.474 ' O ' HG23 ' A' ' 142' ' ' VAL . . . -50.68 -63.75 1.03 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' MET . . . . . 0.694 ' HB2' HG12 ' A' ' 135' ' ' VAL . 29.5 mmm -46.54 -36.51 6.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -71.82 -44.1 64.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.476 ' O ' HG23 ' A' ' 145' ' ' VAL . 3.3 ptmm? -81.02 -9.56 59.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.84 ' HA ' HG21 ' A' ' 91' ' ' VAL . 5.1 t -77.56 -23.84 14.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.505 ' O ' ' N ' ' A' ' 146' ' ' TYR . 66.3 t80 -76.36 -66.28 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 143' ' ' PHE . 5.6 ptm180 -38.27 -28.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 141' ' ' LYS . 99.4 t -76.68 -42.38 34.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . 0.505 ' N ' ' O ' ' A' ' 143' ' ' PHE . 1.6 t80 -58.98 -54.86 42.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . 0.446 ' O ' ' C ' ' A' ' 148' ' ' GLY . 33.2 mm-40 -61.05 -41.95 97.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.879 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 147' ' ' GLN . . . -33.97 -53.4 0.69 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.509 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . 0.409 ' HB2' HD13 ' A' ' 88' ' ' LEU . 25.9 mm100 -95.76 43.36 1.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 0.0 110.95 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 147' ' ' GLN . 35.2 t -174.73 119.4 0.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -165.35 157.24 29.64 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.485 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.79 -173.52 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.659 2.239 . . . . 0.0 112.304 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 1.2 t -81.4 104.93 12.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 53.6 p -108.04 163.42 13.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.872 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.471 179.992 . . . . . . . . 0 0 . 1 stop_ save_