data_2eao_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 2eao _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 ' 25' ' ' VAL . . . . . . . . . . . . . 22.8 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.842 0.353 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -54.3 -38.23 65.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.32 -50.97 12.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 13.1 t90 -53.39 -55.61 23.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 73.1 mt -55.68 -36.82 67.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.8 t -69.8 -18.3 63.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.34 -6.79 56.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.136 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.1 pt -123.43 11.25 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt 67.19 12.66 9.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 87.0 mmm -105.05 22.79 14.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.25 -21.64 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.158 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -55.52 -25.46 37.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.926 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -100.24 27.47 5.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -72.23 -25.75 61.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -90.43 -27.53 19.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.82 -43.15 99.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -77.37 -41.89 38.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.2 mt -55.43 -60.5 3.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 13.9 t -61.76 -30.44 70.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.88 -20.39 65.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.08 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.8 -17.04 20.67 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.516 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -83.14 88.33 6.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.37 . . . . 0.0 110.907 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 61.7 p -95.55 -25.02 16.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.176 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.2 m -114.03 137.88 51.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 20.2 mt -58.08 -28.75 64.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -54.29 -28.22 40.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 85.3 mt -89.41 -28.8 19.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.939 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 91.2 t -76.83 -25.92 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.171 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.9 p -63.94 -25.2 68.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.114 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -102.7 26.32 8.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 35.7 mmt -103.0 -176.67 3.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.6 t -150.0 173.77 13.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.165 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.08 -32.71 36.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.83 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -61.11 -45.53 94.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -56.06 -33.03 64.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.4 mt -64.65 -42.35 95.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.74 -18.94 60.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.6 mtp85 -75.6 -39.27 58.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 37.7 pt -80.3 -27.57 11.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.091 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 146.32 -37.03 1.25 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.473 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 61.4 mt -51.57 103.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.894 0.378 . . . . 0.0 111.12 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 71.4 p -124.08 25.11 7.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.76 107.92 20.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.913 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.5 -34.25 61.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.084 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -75.26 -19.6 79.52 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.546 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 36.4 m170 -93.2 -42.19 9.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.756 0.313 . . . . 0.0 110.858 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -61.21 -27.23 68.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -27.37 68.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.0 tttp -86.24 -47.4 9.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 73.1 mt -56.11 -61.03 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 29.9 mt -52.87 -40.24 63.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.67 -28.63 67.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.1 t -88.51 -50.66 6.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.888 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 69.2 mt -51.87 -47.69 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.087 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -54.41 -45.3 72.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.825 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.63 -27.12 61.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.3 mtm -68.18 -57.91 5.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.857 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 89.1 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.799 0.333 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -58.67 -34.67 71.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.51 -48.22 14.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -53.6 -56.87 13.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 92.3 mt -55.92 -35.56 66.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.2 t -69.66 -18.24 63.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.823 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.9 -7.5 55.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.071 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.6 pt -122.59 10.9 5.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.111 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.6 mttt 67.36 12.56 8.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 86.5 mmm -105.27 23.49 13.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.88 -20.85 17.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.139 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -55.51 -25.37 36.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -100.72 27.6 5.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.957 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -72.91 -25.97 61.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -87.9 -30.41 20.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.19 -45.44 87.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -73.35 -45.42 55.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 25.5 mt -52.38 -64.04 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 10.0 t -55.75 -33.81 64.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.45 -19.94 65.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.093 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.82 -17.22 22.94 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -81.48 86.15 6.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.934 0.397 . . . . 0.0 110.883 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 75.7 p -88.53 -34.42 17.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.151 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 44.4 m -105.3 161.54 14.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -75.56 -31.21 59.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -53.79 -28.1 33.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.3 mt -88.4 -25.91 22.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.2 t -80.65 -30.26 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.086 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 50.7 p -60.21 -24.46 64.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.193 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -101.32 26.03 7.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 33.8 mmt -106.38 -175.75 2.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.5 t -151.76 174.1 13.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.154 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.99 -34.35 42.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -60.22 -47.51 85.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.921 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -55.41 -34.99 64.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 15.2 mt -61.2 -40.5 94.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.03 -19.25 60.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -75.49 -39.29 58.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 37.5 pt -80.0 -28.06 12.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 146.87 -37.01 1.2 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.486 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 61.0 mt -51.77 103.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.915 0.388 . . . . 0.0 111.088 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 63.8 p -125.87 38.47 4.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.133 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.93 106.99 15.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.9 -34.34 59.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.119 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -74.41 -20.57 79.56 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.465 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.4 m170 -92.51 -49.85 5.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.773 0.321 . . . . 0.0 110.843 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -52.88 -30.53 34.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -33.13 69.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.0 tttp -83.05 -40.9 19.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 80.2 mt -61.87 -60.74 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 33.0 mt -52.71 -42.63 65.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.935 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -55.61 -26.2 42.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.31 -43.58 8.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 77.2 mt -58.6 -40.67 79.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.143 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -64.94 -45.34 86.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 14.8 t -70.66 -26.67 63.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.849 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.2 mtm -68.38 -58.93 3.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.839 -179.925 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.9 t . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.793 0.33 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -52.56 -34.49 50.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -76.99 -50.65 12.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 13.1 t90 -55.47 -56.8 15.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 71.3 mt -55.6 -37.14 67.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.9 t -69.7 -18.23 63.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.39 -6.43 56.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.123 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.2 pt -124.01 11.38 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.1 mtmt 67.11 12.66 9.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.962 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 87.5 mmm -105.14 22.84 14.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.823 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.17 -21.86 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.148 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 28.2 pt20 -55.46 -25.48 36.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -100.03 27.51 5.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.8 ptp85 -71.79 -26.2 62.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.88 -27.48 18.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.7 -43.31 99.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -77.23 -41.65 40.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 26.9 mt -54.99 -60.05 3.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.7 t -60.46 -33.21 72.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.182 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.54 -21.28 66.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.081 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 107.44 16.46 13.13 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.452 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -113.66 87.42 2.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.993 0.425 . . . . 0.0 110.846 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.9 p -97.6 -25.24 15.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.101 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.9 m -107.99 138.57 44.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.858 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.9 mt -59.78 -31.03 69.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -52.96 -30.43 34.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.957 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.6 mt -87.38 -26.26 23.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 99.6 t -78.29 -23.02 13.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.163 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 34.1 p -67.0 -21.25 65.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -105.5 25.66 10.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 26.2 mtp -96.09 162.57 13.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.7 t -136.54 173.47 11.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.069 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.37 -36.59 54.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -68.04 -32.05 72.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -68.17 -26.09 65.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.1 mt -74.65 -37.78 62.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.06 -18.93 60.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -75.72 -38.06 58.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.831 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 37.9 pt -81.65 -25.66 9.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.16 -37.16 1.43 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.475 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 64.6 mt -51.66 103.2 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.926 0.394 . . . . 0.0 111.102 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 45.3 p -124.67 33.9 5.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.103 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.92 106.16 15.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.2 -33.75 63.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -74.85 -19.6 79.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.517 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 34.1 m170 -93.8 -48.7 6.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.803 0.335 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -52.43 -30.5 29.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.68 -35.14 68.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -81.17 -38.66 26.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 66.6 mt -64.5 -62.66 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.134 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.9 mt -52.81 -40.75 63.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 -57.69 -27.94 63.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.9 t -89.79 -40.0 12.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 75.8 mt -61.2 -46.14 97.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -60.97 -35.47 76.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.7 m -79.95 -26.45 40.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.4 mtm -70.66 -55.34 8.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 96.5 t . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.831 0.348 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -60.95 -35.35 76.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -76.65 -50.79 12.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 12.7 t90 -52.86 -56.08 18.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.922 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 64.8 mt -55.7 -36.59 67.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.8 t -69.87 -18.36 63.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.32 -6.16 56.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.08 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.9 pt -124.19 11.17 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.156 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.0 mttt 67.37 12.52 8.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 84.8 mmm -104.97 22.62 14.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -57.8 -22.13 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.101 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -55.44 -25.41 36.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -100.31 27.61 5.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.4 ptp85 -72.15 -26.51 62.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.97 -30.5 19.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.58 -45.42 89.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.83 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -77.39 -42.65 35.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.8 mt -54.37 -62.8 1.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.7 t -57.46 -30.95 65.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.51 -19.95 64.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 111.61 -17.39 25.71 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.503 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -78.4 77.56 4.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.922 0.391 . . . . 0.0 110.912 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 58.1 p -84.71 -32.0 23.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 m -107.82 134.89 50.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -52.75 -29.37 26.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.932 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -53.05 -28.92 26.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.9 mt -89.15 -26.1 21.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.4 t -77.94 -30.29 16.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.4 p -60.82 -24.36 65.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -101.21 25.7 7.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 39.0 mmt -105.47 -178.03 3.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.5 t -152.26 174.49 13.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.127 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.09 -37.08 52.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -61.35 -42.13 98.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.886 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -61.64 -29.06 69.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.5 mt -67.61 -36.86 81.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.01 -18.95 59.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -76.48 -38.1 55.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 37.0 pt -80.44 -27.76 11.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.094 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 146.46 -36.8 1.25 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.464 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 59.3 mt -52.94 102.26 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.93 0.395 . . . . 0.0 111.124 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 59.4 p -123.22 39.0 4.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.124 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.24 111.42 20.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.947 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.22 -30.39 69.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -79.68 -20.31 68.85 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.49 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 34.7 m170 -93.94 -37.98 11.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.723 0.297 . . . . 0.0 110.847 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -61.49 -32.57 72.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.05 -38.19 64.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -74.78 -45.85 40.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 75.6 mt -57.67 -62.33 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.1 mt -53.44 -39.82 64.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -58.45 -26.31 63.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.56 -40.73 10.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.858 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 79.2 mt -63.43 -45.08 98.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -56.9 -39.16 73.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.57 -26.45 34.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -68.92 -47.98 64.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.861 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 98.9 t . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.845 0.355 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.84 -36.38 83.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.46 -49.29 13.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 11.8 t90 -52.72 -56.68 13.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.4 mt -55.79 -36.73 67.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.0 t -69.29 -17.89 63.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.14 -8.25 54.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.144 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.3 pt -121.98 11.22 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.203 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt 67.13 12.76 9.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.937 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 86.9 mmm -105.39 23.3 13.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.56 -21.34 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.134 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -55.46 -25.62 37.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -101.03 27.69 5.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.5 ptp85 -71.59 -26.04 62.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -87.42 -32.39 19.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.44 -46.73 80.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -75.23 -42.42 55.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.5 mt -55.74 -62.87 1.4 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.8 t -57.74 -31.04 66.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.158 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.83 -20.04 65.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.107 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.88 -17.49 22.6 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.495 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -80.4 85.55 5.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.957 0.408 . . . . 0.0 110.887 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 44.8 p -92.67 -26.71 17.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.6 m -113.05 134.23 54.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -53.31 -28.79 30.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.39 -29.76 25.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 81.1 mt -90.08 -25.93 20.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.955 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 92.6 t -77.11 -27.63 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.122 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 70.4 p -63.17 -24.82 68.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -101.71 25.76 8.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 35.6 mmt -102.88 -176.18 3.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.5 t -153.2 174.26 14.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.147 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.0 -42.45 62.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -57.16 -46.43 82.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -55.18 -28.55 53.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.6 mt -68.49 -37.47 80.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.54 -19.01 59.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.3 mtp85 -75.92 -38.82 57.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 36.9 pt -80.15 -27.56 12.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 146.12 -36.83 1.28 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.529 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 61.3 mt -52.22 102.78 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.914 0.387 . . . . 0.0 111.135 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 73.8 p -124.21 38.53 4.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.175 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.13 104.96 11.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.25 -34.6 61.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.058 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -72.61 -20.77 79.72 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -94.17 -41.63 9.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.737 0.303 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -59.52 -29.71 68.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.961 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.28 -32.06 66.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.9 tttt -83.49 -45.16 13.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 78.8 mt -57.75 -60.45 2.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.185 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 37.0 mt -52.77 -41.96 64.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -55.53 -26.35 42.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.5 t -94.09 -49.65 5.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.847 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 62.2 mt -53.06 -34.42 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -71.5 -47.67 53.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.7 m -67.21 -26.26 66.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.4 mtm -68.28 -57.95 5.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.857 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.855 -179.908 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 98.4 t . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.756 0.312 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -61.29 -34.86 75.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.01 -50.19 12.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 12.6 t90 -52.92 -56.43 15.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 62.1 mt -55.62 -36.48 67.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.944 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.8 t -69.95 -18.41 63.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.44 -5.44 57.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.128 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.5 pt -124.82 11.04 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.146 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt 67.54 12.44 8.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 81.0 mmm -104.92 22.68 14.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -58.16 -21.93 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -55.55 -25.3 37.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -100.77 27.52 5.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -72.6 -26.85 61.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.33 -26.46 19.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.25 -42.52 99.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -78.52 -43.55 26.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.7 mt -52.01 -60.91 2.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 12.6 t -60.2 -32.85 71.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.66 -21.3 66.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.063 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 108.48 17.09 10.94 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.474 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -113.87 73.6 0.83 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.952 0.406 . . . . 0.0 110.879 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 48.3 p -78.51 -32.71 48.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.155 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.5 m -110.1 147.19 34.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.828 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.43 -27.61 69.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.38 -27.39 36.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 66.1 mt -89.75 -25.87 20.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.5 t -80.98 -28.38 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.103 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 38.3 p -62.12 -24.8 67.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.169 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -101.29 25.71 7.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 36.5 mmt -104.45 -175.98 2.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.5 t -151.21 174.01 13.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.158 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.02 -30.17 24.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -64.35 -41.45 96.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -59.88 -36.92 77.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.853 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 19.7 mt -63.95 -41.89 97.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.38 -19.42 59.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -74.87 -40.23 61.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 34.4 pt -78.91 -28.21 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 146.64 -36.58 1.24 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.537 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 60.0 mt -52.35 102.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.912 0.387 . . . . 0.0 111.137 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 76.4 p -123.78 13.97 9.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -81.63 111.49 17.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.22 -40.95 68.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.082 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -71.7 -19.99 78.32 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.501 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.3 m170 -87.39 -48.64 7.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.756 0.312 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -53.8 -35.06 60.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -25.88 64.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -88.98 -47.07 8.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 75.6 mt -60.69 -59.86 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.073 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 58.8 mt -53.02 -41.96 65.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.942 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -58.96 -26.69 64.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.96 -41.76 10.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.886 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 80.8 mt -64.62 -43.9 96.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.129 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -60.29 -39.25 86.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.832 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.6 m -79.91 -26.57 40.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -68.11 -56.0 10.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.929 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.945 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.1 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.804 0.335 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -62.42 -35.96 80.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.61 -49.33 13.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 11.8 t90 -52.37 -57.03 11.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 60.2 mt -55.79 -36.52 67.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.957 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.0 t -69.38 -18.13 63.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.92 -8.09 54.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.102 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.3 pt -122.19 11.23 5.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.9 mttt 67.14 12.71 9.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 88.0 mmm -105.32 23.27 13.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.9 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.51 -21.7 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -55.42 -25.49 36.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -100.95 27.79 5.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -73.05 -27.35 61.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.86 -27.66 20.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.21 -40.83 95.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -78.78 -43.53 25.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 34.6 mt -53.08 -60.42 3.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.8 t -56.64 -35.31 68.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.9 -20.08 65.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.091 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.04 -16.9 22.61 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.518 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -77.32 89.36 3.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.924 0.392 . . . . 0.0 110.868 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 63.8 p -99.46 -24.91 14.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.154 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.7 m -115.17 133.42 56.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -53.05 -28.85 26.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.929 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.12 -29.88 23.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 75.4 mt -91.09 -25.64 19.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 96.0 t -75.68 -24.04 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.151 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 51.7 p -69.19 -22.41 63.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -100.7 20.8 14.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 8.2 mtm -100.05 177.55 5.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.0 t -149.86 175.22 11.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.106 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.1 t -51.91 -38.73 57.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -60.49 -32.91 71.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -70.86 -29.28 65.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.5 mt -68.63 -40.07 80.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.17 -19.14 60.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.924 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -75.52 -38.21 59.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 37.9 pt -81.42 -26.19 10.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.84 -37.22 1.36 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.413 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 63.5 mt -51.65 103.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.903 0.383 . . . . 0.0 111.136 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 72.8 p -124.69 27.55 6.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.138 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.33 105.47 16.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.93 -34.62 60.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -74.96 -19.61 79.85 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.463 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 36.5 m170 -92.75 -48.37 6.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.805 0.336 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -51.97 -34.29 41.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -52.64 -33.24 45.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -81.26 -52.74 7.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 51.5 mt -54.84 -58.98 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 22.0 mt -53.07 -42.86 66.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -59.16 -26.08 64.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.25 -41.21 12.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 61.6 mt -65.96 -39.48 84.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.129 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -64.96 -32.41 74.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.9 t -86.87 -26.48 23.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -70.39 -42.88 71.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 78.2 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.825 0.345 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -52.17 -38.09 56.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.29 -50.46 14.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 13.4 t90 -53.49 -55.99 20.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 61.0 mt -55.72 -36.59 67.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.3 t -70.22 -17.69 63.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.06 -7.05 54.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.101 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.4 pt -123.14 11.51 5.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.106 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt 67.03 12.85 9.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 87.8 mmm -105.15 22.63 15.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.87 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -57.99 -22.11 18.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.169 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -55.6 -25.43 38.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -100.54 27.44 5.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.942 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -72.58 -25.99 61.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -88.8 -28.28 20.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.53 -43.56 98.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -77.03 -42.91 36.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 25.7 mt -55.21 -54.57 41.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.6 t -67.31 -30.77 70.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.28 -20.26 65.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.085 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.54 -16.73 23.91 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.494 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -83.71 88.91 7.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.942 0.401 . . . . 0.0 110.906 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 48.6 p -99.63 -25.32 14.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.133 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 m -107.18 136.5 46.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.4 mt -59.41 -31.52 69.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -54.05 -27.87 35.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 85.6 mt -89.65 -26.23 20.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.7 t -73.98 -24.66 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.124 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 66.9 p -66.67 -23.67 66.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -99.54 22.26 11.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 11.6 mtm -105.83 165.24 11.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.3 t -136.87 174.56 10.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.17 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.08 -30.13 24.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.818 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -66.28 -39.3 89.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.42 -29.31 70.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.906 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.5 mt -68.22 -38.3 81.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.12 -19.15 60.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -75.58 -38.25 59.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 37.9 pt -81.35 -26.13 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.167 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.65 -37.03 1.39 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.531 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 63.9 mt -51.77 103.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.908 0.385 . . . . 0.0 111.121 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 67.5 p -124.1 25.37 7.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.72 106.36 18.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.45 -37.92 63.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.078 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -72.4 -20.56 79.41 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.1 m170 -90.67 -42.55 10.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.726 0.298 . . . . 0.0 110.849 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -57.45 -33.45 67.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.67 -30.32 55.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.892 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.0 tttt -82.89 -47.51 11.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 69.0 mt -58.61 -59.24 3.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.131 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 47.7 mt -53.4 -44.83 69.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 -55.66 -26.17 43.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.41 -51.91 5.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.826 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 62.0 mt -51.8 -36.01 18.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -70.38 -36.12 73.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.0 m -77.73 -26.93 50.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 3.5 mtm -70.92 -54.84 9.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.83 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.876 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 67.5 t . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.85 0.357 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.36 -34.36 70.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -75.49 -46.67 31.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 10.4 t90 -57.95 -56.26 24.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.949 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 97.4 mt -55.68 -36.09 66.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.7 t -68.75 -18.71 64.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.27 -7.42 56.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.111 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.4 pt -122.89 10.82 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.173 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.5 mtmt 67.24 12.59 9.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 88.3 mmm -105.29 23.63 13.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -59.42 -20.3 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -55.54 -25.34 37.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -100.43 27.54 5.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -72.27 -25.35 61.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -87.93 -29.47 20.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.3 -44.23 97.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -73.29 -44.32 59.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.826 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.0 mt -55.85 -63.0 1.32 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.6 t -57.1 -30.9 64.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.169 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.15 -19.97 64.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.12 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 111.7 -17.19 25.67 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.519 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -82.48 89.16 6.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.95 0.405 . . . . 0.0 110.874 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 68.0 p -96.81 -25.12 15.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.0 m -109.32 140.77 42.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.6 mt -61.68 -30.74 70.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -55.61 -26.12 42.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.7 mt -90.42 -26.32 19.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 94.1 t -78.01 -26.63 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 69.7 p -62.6 -24.8 67.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -101.69 25.73 8.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 35.3 mmt -103.91 169.42 8.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.5 t -140.04 174.03 10.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.159 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.9 t -52.06 -39.75 60.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.808 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -58.63 -36.64 74.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.852 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -66.96 -28.46 68.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.3 mt -69.3 -38.88 78.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.14 -19.16 60.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.55 -38.28 59.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 37.9 pt -81.27 -26.24 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.162 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.82 -37.14 1.37 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 63.2 mt -51.64 103.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.879 0.371 . . . . 0.0 111.128 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 44.2 p -126.09 40.21 3.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.153 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.65 106.61 14.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.95 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.31 -31.97 55.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -77.57 -19.64 75.72 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.441 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 39.8 m170 -93.32 -45.95 7.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.731 0.3 . . . . 0.0 110.836 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -55.07 -33.7 62.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.13 -29.55 63.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.1 tttp -83.12 -48.78 10.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 72.8 mt -55.75 -61.43 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.107 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.4 mt -52.05 -43.56 63.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.96 -28.37 36.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.87 -45.03 9.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 75.5 mt -54.25 -48.85 66.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.144 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -56.4 -37.51 70.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.7 m -77.92 -26.76 49.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.8 mtm -71.09 -55.07 9.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 90.7 t . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.845 0.355 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -52.15 -38.44 57.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.87 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.22 -50.86 13.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 13.1 t90 -52.9 -55.98 19.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.943 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 60.5 mt -55.72 -36.59 67.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.926 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.8 t -69.88 -18.19 63.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.32 -7.67 54.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.114 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.8 pt -122.56 11.42 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.182 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 67.06 12.81 9.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 87.0 mmm -105.12 22.67 14.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -57.99 -22.29 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.09 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -55.49 -25.56 37.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -100.18 27.5 5.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.961 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.9 ptp85 -71.56 -26.05 62.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.848 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -91.3 -27.04 18.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.839 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.8 -42.82 99.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -78.07 -41.76 34.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 30.5 mt -55.8 -59.86 4.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.6 t -62.3 -30.71 71.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.9 -20.35 65.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.066 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.38 -16.84 21.83 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.537 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -84.42 88.85 7.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.909 0.385 . . . . 0.0 110.891 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 81.3 p -99.31 -25.78 14.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.6 m -105.68 133.94 49.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 33.4 mt -57.71 -32.22 67.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -54.46 -27.42 37.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 81.2 mt -88.3 -26.04 22.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 94.5 t -75.01 -24.39 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 50.1 p -66.59 -23.71 66.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -99.73 22.22 11.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 14.1 mtm -105.82 164.77 11.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.3 t -135.93 174.66 10.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.03 -30.19 24.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.82 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -66.28 -38.16 87.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -65.66 -28.63 69.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.846 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.4 mt -68.77 -38.08 79.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.2 -19.11 59.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.953 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -75.58 -38.31 59.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 37.9 pt -81.3 -26.21 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.117 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.84 -37.15 1.37 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 63.8 mt -51.74 103.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.941 0.401 . . . . 0.0 111.106 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 81.8 p -125.32 25.28 7.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.49 107.94 20.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.45 -38.03 63.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -72.78 -19.77 79.47 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.514 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -89.83 -48.32 7.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.757 0.313 . . . . 0.0 110.838 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -52.41 -34.99 50.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.28 -34.38 46.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.8 tttp -81.76 -47.27 13.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 73.1 mt -56.49 -59.94 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 47.4 mt -54.07 -42.29 69.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -57.64 -26.01 61.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.77 -47.26 7.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 62.3 mt -58.17 -36.82 59.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.102 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -68.32 -38.1 81.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.851 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.7 m -77.79 -26.52 49.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 4.9 mtm -68.97 -56.93 6.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 94.3 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.877 0.37 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.65 -34.62 78.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.859 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.8 -46.81 28.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 10.0 t90 -56.2 -56.17 24.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 92.4 mt -56.14 -34.65 66.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.7 t -70.0 -17.95 63.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.11 -7.91 54.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.107 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.7 pt -121.93 10.93 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.8 mttt 67.35 12.55 8.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 86.1 mmm -105.32 23.5 13.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.56 -21.29 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.126 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -55.47 -25.53 37.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -100.13 27.49 5.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.936 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -71.92 -25.53 61.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.857 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -89.67 -28.66 19.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.21 -43.82 97.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -75.58 -42.14 52.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.0 mt -57.29 -61.64 2.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.6 t -57.58 -30.96 65.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.12 -20.6 65.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 108.1 16.73 11.86 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.448 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -113.2 74.32 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.933 0.397 . . . . 0.0 110.898 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 44.9 p -78.67 -26.82 45.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.14 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.5 m -114.56 149.98 35.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.53 -26.93 67.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.928 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -55.64 -26.04 42.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.6 mt -91.88 -26.08 18.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.951 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 92.3 t -80.9 -27.19 11.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.143 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.4 p -63.21 -24.85 68.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -101.78 25.95 8.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 31.6 mmt -103.11 -176.12 3.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.5 t -151.78 173.98 14.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.191 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.06 -33.78 40.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -61.56 -42.69 99.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -58.53 -35.61 72.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.9 mt -61.66 -41.38 97.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.62 -19.26 60.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -75.44 -39.83 58.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 37.1 pt -79.55 -28.41 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.1 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 147.24 -37.01 1.17 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.459 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 60.2 mt -51.61 103.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.929 0.395 . . . . 0.0 111.175 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 61.6 p -122.85 29.95 6.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.145 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.84 107.96 19.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.72 -42.15 67.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.11 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.24 -19.65 72.46 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.46 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 38.5 m170 -90.7 -45.1 9.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.761 0.315 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -57.66 -34.63 69.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.5 ttmm -57.35 -26.84 61.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -87.25 -39.75 15.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 79.6 mt -66.73 -58.61 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.091 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 15.3 mt -53.02 -40.89 64.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.94 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -56.79 -25.99 56.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.933 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.16 -40.92 9.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 81.0 mt -63.06 -44.23 99.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.157 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -61.96 -40.06 94.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.8 m -76.85 -26.61 54.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -67.83 -57.44 6.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.88 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 80.9 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.846 0.355 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.41 -34.41 64.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -75.74 -46.65 29.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 11.0 t90 -57.84 -56.43 22.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 93.1 mt -56.09 -35.01 66.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.6 t -70.14 -17.89 63.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.45 -7.76 54.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.3 pt -122.15 11.24 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt 67.12 12.69 9.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 88.0 mmm -105.29 23.41 13.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.69 -21.21 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.128 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -55.58 -25.38 37.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.946 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -100.4 27.32 5.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.963 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -72.13 -25.61 61.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.0 -28.95 19.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.8 -44.03 97.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -74.26 -42.53 59.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 40.1 mt -56.92 -62.04 2.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 15.2 t -58.3 -31.61 67.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.174 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.87 -20.04 65.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.71 -17.51 22.99 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.501 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -82.8 88.27 6.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.989 0.423 . . . . 0.0 110.918 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 81.8 p -96.0 -25.16 16.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.174 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.9 m -110.83 140.19 45.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.7 mt -56.65 -32.51 65.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -55.34 -26.28 39.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.4 mt -87.31 -25.85 23.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 92.3 t -84.65 -25.14 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 73.4 p -62.95 -24.53 67.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -105.51 29.54 6.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 35.0 mmt -104.9 179.06 4.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.6 t -146.5 173.85 11.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.122 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.14 -45.96 65.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -55.11 -42.56 73.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -59.27 -26.67 65.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.9 mt -71.09 -36.77 72.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.86 -18.93 59.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 17.7 mtm180 -76.25 -37.79 57.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 37.6 pt -81.1 -26.81 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.105 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.41 -36.9 1.34 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 60.6 mt -52.75 102.48 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.904 0.383 . . . . 0.0 111.12 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 46.9 p -123.23 34.38 5.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.99 104.71 12.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.52 -37.17 62.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.058 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -72.58 -19.97 79.32 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.46 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -91.66 -46.22 8.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.692 0.282 . . . . 0.0 110.824 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -54.12 -33.35 57.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.51 -28.54 60.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.826 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.0 tttt -84.6 -41.78 16.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.907 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 53.4 mt -63.28 -61.33 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.3 mt -52.64 -43.37 65.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -55.31 -26.31 39.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.3 t -91.96 -39.36 11.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 62.4 mt -60.25 -47.0 93.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -57.24 -36.88 71.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.2 m -80.53 -27.32 37.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.1 mtm -68.37 -56.0 10.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 -179.948 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 44.4 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.796 0.332 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -51.98 -31.89 31.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.9 -52.06 7.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 12.9 t90 -53.0 -55.21 25.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 79.5 mt -55.57 -37.16 67.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.9 t -69.59 -18.48 63.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.825 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.27 -6.09 57.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.059 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.4 pt -124.23 11.07 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.134 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 67.41 12.49 8.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 85.6 mmm -105.03 22.81 14.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -58.04 -21.67 17.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.123 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -55.48 -25.44 36.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -99.79 27.34 5.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.6 ptp85 -71.49 -26.19 62.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.0 -27.09 18.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.96 -42.89 99.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -77.61 -43.09 32.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 22.5 mt -54.48 -62.3 1.74 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.6 t -58.93 -30.76 68.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.149 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.34 -20.2 65.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.078 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.6 -17.21 21.03 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.494 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -81.16 89.11 5.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.948 0.404 . . . . 0.0 110.893 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.4 p -98.73 -25.36 14.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.107 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 66.3 m -107.76 136.06 48.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 29.5 mt -58.24 -32.46 68.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -54.93 -26.84 38.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 85.1 mt -86.91 -30.49 21.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.8 t -73.55 -27.42 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.175 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 51.0 p -62.75 -24.98 67.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -101.07 25.65 7.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.947 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 38.1 mmt -103.72 170.93 7.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.7 t -142.31 173.47 11.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.177 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.4 t -52.11 -37.32 53.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -61.12 -33.42 73.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -70.65 -26.77 63.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.8 mt -72.87 -37.39 67.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.37 -19.53 59.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -75.17 -38.1 61.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 37.8 pt -81.48 -26.14 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.75 -37.39 1.36 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.481 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 62.0 mt -51.85 102.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.942 0.401 . . . . 0.0 111.182 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.1 p -117.27 -18.4 9.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.166 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -55.27 108.4 0.41 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.89 -26.47 35.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.079 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -82.12 -21.43 60.92 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.499 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -89.03 -34.06 16.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.699 0.285 . . . . 0.0 110.854 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -69.04 -32.36 71.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.932 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.55 -28.74 70.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -82.27 -46.83 13.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 55.0 mt -57.82 -58.7 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.0 mt -52.64 -43.33 65.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.944 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -57.24 -27.13 61.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.51 -45.72 8.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 77.1 mt -59.77 -45.12 95.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -60.52 -26.75 67.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.859 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.3 m -90.12 -26.61 20.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -68.78 -53.05 23.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.931 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 96.7 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.813 0.339 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -60.44 -35.4 75.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -76.64 -51.31 11.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 13.0 t90 -52.63 -56.0 18.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.951 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.9 mt -55.59 -36.57 67.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.8 t -69.87 -18.53 63.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.97 -7.11 56.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.114 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.5 pt -123.21 11.15 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.3 mttt 67.42 12.49 8.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 58.1 mmm -104.71 22.53 14.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -57.74 -22.53 18.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -55.44 -25.48 36.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -100.1 27.54 5.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.8 ptp85 -71.94 -26.03 62.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.12 -29.04 18.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.3 t -59.97 -43.2 95.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -78.39 -43.6 27.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.6 mt -52.18 -62.67 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 12.3 t -58.34 -32.93 68.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.58 -21.28 66.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.091 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 108.12 16.63 12.04 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.446 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -113.14 79.71 1.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.934 0.397 . . . . 0.0 110.887 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 43.7 p -86.94 -25.23 24.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.138 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.8 m -116.53 136.64 52.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -55.57 -26.58 44.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -54.28 -27.63 36.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.3 mt -91.88 -25.96 18.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.1 t -79.18 -27.93 13.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 37.6 p -62.45 -24.87 67.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -101.62 26.05 7.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 36.3 mmt -104.35 -176.05 2.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.6 t -151.93 173.92 14.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.142 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.08 -30.07 24.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -64.13 -44.42 92.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -58.02 -37.15 73.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.838 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.8 mt -61.67 -42.11 98.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.05 -19.21 60.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.0 mtm180 -74.81 -42.36 58.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 33.3 pt -77.0 -30.14 17.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 148.84 -36.29 1.06 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.511 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 58.8 mt -51.72 102.98 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 111.162 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.0 p -124.7 13.5 8.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -81.5 106.98 13.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.95 -33.41 56.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.154 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -78.5 -19.35 74.02 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.473 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.8 m170 -91.03 -46.38 8.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.76 0.314 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -52.7 -39.3 61.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.01 -26.61 38.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -86.72 -43.22 12.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 76.3 mt -61.96 -60.21 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 36.3 mt -53.38 -40.49 65.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -59.35 -26.08 64.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.54 -42.62 9.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 78.0 mt -63.43 -43.24 98.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.134 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -57.59 -40.24 78.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.5 t -81.3 -26.65 35.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -67.49 -51.14 54.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 -179.917 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 98.6 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.891 0.377 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -62.65 -36.24 82.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.85 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.39 -49.88 13.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 12.5 t90 -52.87 -56.46 15.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 61.0 mt -55.73 -36.37 67.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.6 t -70.05 -18.33 63.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.47 -5.45 57.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.089 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.5 pt -124.86 10.9 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.165 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 67.6 12.45 8.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 57.9 mmm -104.81 22.52 15.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -58.17 -21.78 18.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.159 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -55.5 -25.45 37.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -100.94 27.43 6.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -72.88 -27.8 62.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.7 -27.33 22.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.92 -42.92 99.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -78.28 -40.99 35.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.1 mt -56.54 -61.09 2.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.6 t -60.09 -30.91 69.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.58 -20.2 65.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.105 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 114.0 -17.71 19.61 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.486 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -80.94 85.86 6.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.949 0.404 . . . . 0.0 110.916 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.2 p -92.56 -32.33 14.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.183 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.7 m -109.04 135.32 50.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -53.17 -28.68 27.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -52.74 -29.26 26.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 74.5 mt -89.74 -26.03 20.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 94.5 t -75.31 -35.7 34.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 45.9 p -56.53 -24.32 45.87 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -99.62 25.2 7.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 27.6 mmt -108.51 171.51 7.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.5 t -140.38 174.25 10.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.187 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.09 -31.84 32.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -66.01 -36.11 82.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -66.17 -28.35 68.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.5 mt -72.06 -38.02 69.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.57 -19.06 59.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.7 mtp85 -75.57 -39.27 58.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 35.5 pt -79.82 -27.18 12.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.57 -36.66 1.34 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.47 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 60.5 mt -52.63 102.49 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.902 0.382 . . . . 0.0 111.159 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 65.0 p -124.4 14.21 8.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -81.49 107.08 13.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.966 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.13 -32.4 55.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -79.22 -19.61 71.66 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.514 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 38.2 m170 -91.29 -46.42 8.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.744 0.307 . . . . 0.0 110.831 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -52.02 -40.33 60.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.97 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -53.17 -28.66 27.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -83.22 -53.04 6.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.894 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 77.1 mt -52.51 -60.07 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.088 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 40.2 mt -53.34 -41.64 65.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.12 -25.79 64.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.17 -41.53 10.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.828 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 81.2 mt -65.03 -43.81 95.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.121 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -57.4 -38.98 75.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 30.6 t -81.77 -30.53 32.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -65.12 -49.17 70.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.0 ptt180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.913 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 77.8 t . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.831 0.348 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -52.22 -37.65 55.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.818 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.37 -50.61 13.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.826 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 13.4 t90 -53.52 -55.91 21.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 62.2 mt -55.64 -36.46 67.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.937 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.1 t -70.24 -18.29 63.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.25 -7.52 55.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.082 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.3 pt -122.65 11.15 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.166 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 67.36 12.58 8.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 66.6 mmm -104.65 22.57 14.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.01 -22.07 18.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.131 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -55.56 -25.42 37.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -100.54 27.29 5.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -72.37 -25.97 61.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.956 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.96 -27.99 20.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.29 -43.31 98.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -77.59 -40.89 40.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 22.7 mt -57.07 -56.59 19.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.919 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.6 t -65.46 -30.77 71.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.34 -20.25 65.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.076 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.19 -16.74 24.76 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.499 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -82.5 89.15 6.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.946 0.403 . . . . 0.0 110.883 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.0 p -102.01 -25.23 13.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.8 m -105.96 132.59 51.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.4 mt -56.83 -32.73 66.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.921 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -54.08 -27.84 35.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 71.1 mt -88.92 -26.02 21.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.957 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.9 t -74.88 -24.58 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.107 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 45.5 p -66.4 -23.91 66.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.185 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -99.52 22.34 10.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 13.4 mtm -106.14 162.38 13.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.4 t -133.15 174.52 10.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.14 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.04 -30.08 23.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.84 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -66.24 -37.13 84.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.0 -33.99 77.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.1 mt -67.73 -36.48 80.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.47 -19.0 58.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -76.21 -37.6 57.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 37.1 pt -81.02 -26.29 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.131 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.87 -36.84 1.39 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.485 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 58.4 mt -53.9 101.67 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.952 0.406 . . . . 0.0 111.164 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 61.3 p -123.16 15.22 9.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.155 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -81.51 108.17 14.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.939 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.92 -34.28 59.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.11 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -77.12 -23.82 67.82 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.51 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.2 m170 -85.76 -47.39 9.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.765 0.317 . . . . 0.0 110.853 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -52.52 -38.37 59.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -28.27 31.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -84.96 -52.78 5.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 76.9 mt -52.26 -59.42 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.148 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 52.9 mt -52.43 -44.9 65.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -55.7 -26.19 43.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.78 -48.05 7.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 62.3 mt -57.35 -36.32 52.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.144 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -69.55 -37.77 77.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.0 t -76.68 -29.04 56.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 4.7 mtm -69.65 -54.63 12.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.903 -179.942 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.0 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.828 0.346 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -62.65 -36.13 81.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.837 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -77.5 -49.7 14.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 12.6 t90 -53.0 -56.46 15.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 60.5 mt -55.73 -36.2 66.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.965 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.6 t -70.14 -18.14 63.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.31 -6.78 56.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.2 pt -123.55 11.08 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.084 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.9 mtmt 67.49 12.46 8.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 61.6 mmm -104.76 22.63 14.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.887 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.24 -21.62 17.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.4 pt20 -55.47 -25.7 38.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -100.97 27.54 5.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.956 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -72.63 -27.93 62.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -87.57 -27.42 22.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.72 -43.04 99.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.834 -179.764 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -78.15 -41.24 35.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.1 mt -56.24 -61.33 2.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.6 t -60.11 -30.9 69.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.26 -20.3 65.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.118 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.93 -17.36 20.1 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.454 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -81.3 87.01 6.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.89 0.376 . . . . 0.0 110.913 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 51.3 p -93.41 -32.74 14.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.165 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.5 m -108.04 134.65 50.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.828 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -52.78 -29.49 27.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -52.99 -28.93 26.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 93.4 mt -89.57 -25.88 21.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 95.4 t -76.42 -33.73 23.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.112 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 46.5 p -57.7 -23.76 53.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -99.88 24.93 7.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.942 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 37.7 mmt -106.67 173.67 6.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.4 t -143.98 174.37 10.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.109 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -51.98 -32.86 35.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -64.71 -40.01 94.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -63.32 -33.46 75.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 15.2 mt -66.88 -37.94 85.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.92 -18.93 59.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.8 -39.16 57.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 35.1 pt -79.59 -27.39 12.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.75 -36.32 1.34 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.482 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 59.1 mt -53.49 102.03 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.89 0.376 . . . . 0.0 111.159 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 40.3 p -123.64 14.0 9.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.123 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -81.4 107.11 13.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.14 -33.42 57.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -78.43 -19.23 74.44 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.489 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 38.6 m170 -91.42 -46.03 8.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.753 0.311 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -52.97 -38.93 62.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -54.4 -27.34 36.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -85.31 -51.01 6.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 80.3 mt -53.96 -61.37 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.127 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 29.3 mt -53.67 -40.61 66.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -58.24 -26.09 62.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.3 t -93.17 -39.42 11.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.905 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 78.0 mt -65.63 -44.29 93.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.16 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -58.03 -35.66 71.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 14.9 t -85.56 -26.44 26.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.828 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -70.48 -44.41 67.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.961 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 98.0 t . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.878 0.37 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -61.88 -34.56 76.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.45 -49.57 12.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 12.6 t90 -52.94 -56.5 15.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 58.1 mt -55.76 -36.57 67.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.4 t -69.66 -18.18 63.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.19 -7.33 55.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.096 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.0 pt -122.98 11.08 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.13 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt 67.45 12.49 8.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 60.7 mmm -104.85 22.79 14.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.13 -21.98 18.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.164 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -55.6 -25.36 38.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -100.78 27.56 5.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -72.85 -27.08 61.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.28 -27.63 21.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.88 -43.17 99.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -79.15 -44.18 22.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.834 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.3 mt -52.1 -63.14 1.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.6 t -56.69 -30.86 63.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.24 -19.96 64.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.26 -17.43 24.12 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.505 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -77.42 74.21 3.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.882 0.372 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.4 p -81.69 -34.51 30.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.104 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 38.0 m -106.68 140.32 39.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -59.65 -27.86 66.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -55.35 -26.29 40.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 74.5 mt -90.41 -26.04 20.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.3 t -80.89 -30.77 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 67.4 p -57.86 -24.2 56.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -105.33 30.29 5.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 34.5 mmt -110.14 -176.13 2.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.5 t -152.06 174.08 14.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.11 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.4 t -52.02 -30.15 24.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -61.38 -36.22 79.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -70.76 -32.56 69.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.0 mt -66.08 -40.98 91.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.33 -19.22 60.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -74.89 -42.09 58.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 33.2 pt -77.04 -30.21 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 148.82 -36.35 1.06 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.506 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 59.0 mt -51.74 103.05 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.924 0.392 . . . . 0.0 111.159 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 23.9 p -124.73 13.52 8.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -81.47 106.72 13.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.12 -32.5 55.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.082 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -79.32 -19.33 72.06 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.542 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.4 m170 -91.38 -45.65 8.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.775 0.322 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -53.11 -39.96 63.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.95 -27.84 33.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -84.61 -46.27 11.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 79.7 mt -57.85 -61.23 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.127 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.1 mt -52.49 -45.13 66.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 29.6 m-20 -56.08 -26.17 48.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.8 t -91.14 -44.39 9.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 80.7 mt -61.46 -44.97 99.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.082 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -57.13 -37.75 72.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.8 t -82.17 -26.44 33.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -67.52 -50.4 58.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.912 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.0 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.798 0.332 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -52.88 -32.42 44.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.73 -51.74 8.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.862 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 12.9 t90 -53.21 -55.26 25.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 79.5 mt -55.57 -36.89 67.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.8 t -69.82 -18.49 63.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.869 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.26 -5.59 57.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.074 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.3 pt -124.87 10.98 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.143 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt 67.57 12.38 8.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 59.0 mmm -104.65 22.6 14.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -58.37 -21.51 18.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -55.56 -25.47 38.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.958 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -99.99 27.25 5.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -71.85 -25.66 62.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -90.22 -27.85 19.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.81 -43.22 99.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.737 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -76.65 -43.92 36.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.9 mt -52.95 -61.53 2.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.6 t -60.6 -30.73 70.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.03 -20.3 65.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.98 -17.21 20.09 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.512 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -81.04 89.07 5.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.859 0.361 . . . . 0.0 110.859 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 67.4 p -96.91 -25.62 15.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 69.6 m -111.92 146.91 36.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 25.5 mt -67.3 -30.77 70.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.93 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -54.18 -28.24 39.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.7 mt -88.82 -26.4 21.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 89.9 t -80.68 -25.13 11.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.113 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.7 p -65.05 -24.96 67.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.16 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -103.04 26.22 8.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 34.4 mmt -100.4 -176.43 3.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.6 t -148.84 173.84 12.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.154 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.11 -30.08 24.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -63.36 -47.17 83.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -52.62 -33.24 45.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.5 mt -68.82 -43.33 75.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.63 -19.23 60.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -74.72 -40.61 61.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.854 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 34.5 pt -79.1 -27.4 13.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.72 -36.56 1.33 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.457 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 63.6 mt -51.64 103.24 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.926 0.393 . . . . 0.0 111.115 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 77.3 p -124.21 15.96 9.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -81.69 114.92 20.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.98 -31.52 69.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.103 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -80.94 -20.19 65.87 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.495 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -90.51 -44.01 9.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.773 0.32 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -55.26 -39.86 70.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.46 -26.08 40.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -85.36 -51.89 6.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 77.3 mt -52.94 -61.41 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 60.4 mt -52.13 -46.79 65.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.949 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -54.76 -27.05 38.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.99 -51.52 5.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 64.3 mt -52.41 -43.88 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.145 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -59.05 -36.23 74.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.6 m -81.23 -26.53 35.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -69.46 -55.68 9.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.1 ptt180 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.951 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 46.5 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.818 0.342 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -53.71 -30.87 45.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.97 -51.25 8.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.822 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 13.4 t90 -53.93 -55.02 30.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 76.6 mt -55.77 -36.63 67.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.0 t -70.13 -17.69 63.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.82 -7.75 53.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.8 pt -122.47 11.5 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.106 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 67.1 12.75 9.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.948 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 85.4 mmm -105.0 22.76 14.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.942 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.15 -21.95 18.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -55.48 -25.57 37.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -100.03 27.5 5.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.977 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.6 ptp85 -71.85 -25.94 62.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -88.46 -29.01 20.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.853 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.43 -43.93 97.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -76.91 -40.4 47.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.9 mt -57.92 -57.9 10.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.6 t -63.36 -30.74 71.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.157 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.88 -20.3 65.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.73 -16.94 20.91 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.522 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -81.31 87.1 6.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.914 0.388 . . . . 0.0 110.885 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 46.4 p -95.28 -25.3 16.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.144 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.6 m -112.11 137.46 50.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 22.0 mt -58.27 -28.71 65.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -54.22 -27.62 35.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.6 mt -90.72 -26.09 19.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 96.1 t -75.47 -29.34 20.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.092 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.2 p -61.77 -24.81 67.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -101.12 25.62 7.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 38.7 mmt -104.81 166.73 10.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.821 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.6 t -136.36 173.84 11.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.19 -39.06 59.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -58.94 -41.15 86.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -59.72 -34.37 72.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.824 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.0 mt -67.6 -34.89 77.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.951 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.09 -18.57 57.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.7 mtm180 -77.32 -37.24 52.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 36.7 pt -80.58 -27.14 11.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.8 -36.43 1.33 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.538 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 53.5 mt -55.12 100.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 0.0 111.138 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 68.3 p -121.55 13.98 10.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.172 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -81.21 126.57 31.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.24 -32.15 69.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.082 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -79.44 -20.19 69.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.445 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 47.0 m170 -89.98 -45.74 8.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.777 0.322 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -54.05 -38.32 65.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -56.27 -25.86 49.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -85.59 -52.25 5.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 79.5 mt -53.77 -60.96 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.142 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 47.4 mt -53.2 -41.66 65.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -58.73 -26.18 63.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.62 -48.72 6.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 78.3 mt -55.1 -46.46 77.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -56.32 -36.15 68.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.818 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.6 m -81.86 -26.44 34.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.838 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -69.79 -55.47 9.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.888 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.906 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 t -119.16 73.41 0.94 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.9 0.381 . . . . 0.0 110.878 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 m -145.77 156.12 43.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.66 57.95 1.57 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.01 127.5 55.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.893 0.378 . . . . 0.0 110.846 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 76.7 p -123.29 122.46 38.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.82 45.45 1.38 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.515 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.95 139.28 1.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.792 0.33 . . . . 0.0 110.824 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -77.72 160.56 74.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.589 0.709 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 95.02 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.637 2.225 . . . . 0.0 112.395 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -70.14 174.34 5.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 mp -99.0 172.11 7.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.37 111.55 18.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -83.74 -29.53 27.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.3 t -88.87 122.12 31.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 63.0 mt -104.85 133.08 20.34 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.646 0.736 . . . . 0.0 111.088 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 178.99 3.99 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.738 2.292 . . . . 0.0 112.342 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -95.33 101.69 13.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.878 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -69.51 -26.53 64.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 47.7 p -93.22 42.48 1.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.16 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.25 27.48 3.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -115.71 -170.82 1.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.7 t -174.52 -40.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.07 159.04 40.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.8 t -59.87 -47.77 90.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.15 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -54.3 -38.23 65.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.32 -50.97 12.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 13.1 t90 -53.39 -55.61 23.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 73.1 mt -55.68 -36.82 67.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.8 t -69.8 -18.3 63.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.34 -6.79 56.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.136 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.1 pt -123.43 11.25 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt 67.19 12.66 9.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 87.0 mmm -105.05 22.79 14.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.25 -21.64 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.158 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -55.52 -25.46 37.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.926 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -100.24 27.47 5.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -72.23 -25.75 61.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -90.43 -27.53 19.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.82 -43.15 99.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -77.37 -41.89 38.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.2 mt -55.43 -60.5 3.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 13.9 t -61.76 -30.44 70.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.88 -20.39 65.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.08 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.8 -17.04 20.67 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.516 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -83.14 88.33 6.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.37 . . . . 0.0 110.907 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 61.7 p -95.55 -25.02 16.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.176 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.2 m -114.03 137.88 51.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 20.2 mt -58.08 -28.75 64.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -54.29 -28.22 40.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 85.3 mt -89.41 -28.8 19.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.939 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 91.2 t -76.83 -25.92 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.171 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.9 p -63.94 -25.2 68.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.114 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -102.7 26.32 8.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 35.7 mmt -103.0 -176.67 3.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.6 t -150.0 173.77 13.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.165 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.08 -32.71 36.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.83 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -61.11 -45.53 94.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -56.06 -33.03 64.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.4 mt -64.65 -42.35 95.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.74 -18.94 60.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.6 mtp85 -75.6 -39.27 58.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 37.7 pt -80.3 -27.57 11.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.091 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 146.32 -37.03 1.25 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.473 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 61.4 mt -51.57 103.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.894 0.378 . . . . 0.0 111.12 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 71.4 p -124.08 25.11 7.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.76 107.92 20.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.913 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.5 -34.25 61.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.084 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -75.26 -19.6 79.52 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.546 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 36.4 m170 -93.2 -42.19 9.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.756 0.313 . . . . 0.0 110.858 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -61.21 -27.23 68.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -27.37 68.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.0 tttp -86.24 -47.4 9.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 73.1 mt -56.11 -61.03 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 29.9 mt -52.87 -40.24 63.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.67 -28.63 67.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.1 t -88.51 -50.66 6.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.888 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 69.2 mt -51.87 -47.69 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.087 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -54.41 -45.3 72.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.825 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.63 -27.12 61.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.3 mtm -68.18 -57.91 5.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.857 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.99 -37.1 52.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 89.8 t -66.61 -50.04 69.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -71.37 -74.31 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.4 pt -82.05 172.02 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 58.16 94.69 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -77.93 92.2 4.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.8 p -121.68 73.24 32.27 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.666 0.746 . . . . 0.0 110.872 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -176.38 1.46 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.646 2.231 . . . . 0.0 112.388 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 47.2 m -61.21 143.45 55.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.131 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -112.95 -55.94 2.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -72.47 90.94 1.35 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.919 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -159.83 -174.21 4.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.25 178.56 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.817 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -70.82 168.06 50.19 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.54 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -22.61 31.72 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.662 2.241 . . . . 0.0 112.345 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 m -144.42 118.41 9.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.864 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.28 -52.07 0.4 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.828 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.485 -179.949 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.34 111.89 16.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.856 0.36 . . . . 0.0 110.852 -179.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 p -170.51 162.65 8.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.04 70.12 1.09 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t -53.76 153.49 4.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.839 0.352 . . . . 0.0 110.88 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.8 t -60.32 112.04 1.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.846 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.78 141.97 7.9 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.14 140.93 58.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.854 0.359 . . . . 0.0 110.815 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -127.64 71.52 77.67 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.593 0.711 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 175.38 8.21 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.682 2.255 . . . . 0.0 112.308 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 pp -66.28 156.43 34.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.951 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.9 mt -128.02 104.27 7.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -107.52 -44.12 4.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.14 151.31 22.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.6 p -140.88 65.77 1.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 66.2 mt -85.37 133.09 43.09 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.662 0.744 . . . . 0.0 111.122 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -175.91 1.31 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.678 2.252 . . . . 0.0 112.363 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -100.8 108.5 20.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -73.91 -31.79 63.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 21.1 p -92.5 44.43 1.16 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.167 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.76 26.4 1.4 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.083 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -111.11 137.48 48.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.2 t -124.47 -36.21 2.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.148 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.5 p -130.01 135.98 48.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.174 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 89.1 t -51.6 -33.6 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.129 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -58.67 -34.67 71.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.51 -48.22 14.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -53.6 -56.87 13.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 92.3 mt -55.92 -35.56 66.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.2 t -69.66 -18.24 63.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.823 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.9 -7.5 55.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.071 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.6 pt -122.59 10.9 5.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.111 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.6 mttt 67.36 12.56 8.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 86.5 mmm -105.27 23.49 13.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.88 -20.85 17.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.139 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -55.51 -25.37 36.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -100.72 27.6 5.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.957 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -72.91 -25.97 61.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -87.9 -30.41 20.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.19 -45.44 87.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -73.35 -45.42 55.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 25.5 mt -52.38 -64.04 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 10.0 t -55.75 -33.81 64.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.45 -19.94 65.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.093 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.82 -17.22 22.94 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -81.48 86.15 6.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.934 0.397 . . . . 0.0 110.883 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 75.7 p -88.53 -34.42 17.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.151 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 44.4 m -105.3 161.54 14.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -75.56 -31.21 59.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -53.79 -28.1 33.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.3 mt -88.4 -25.91 22.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.2 t -80.65 -30.26 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.086 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 50.7 p -60.21 -24.46 64.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.193 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -101.32 26.03 7.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 33.8 mmt -106.38 -175.75 2.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.5 t -151.76 174.1 13.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.154 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.99 -34.35 42.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -60.22 -47.51 85.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.921 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -55.41 -34.99 64.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 15.2 mt -61.2 -40.5 94.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.03 -19.25 60.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -75.49 -39.29 58.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 37.5 pt -80.0 -28.06 12.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 146.87 -37.01 1.2 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.486 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 61.0 mt -51.77 103.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.915 0.388 . . . . 0.0 111.088 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 63.8 p -125.87 38.47 4.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.133 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.93 106.99 15.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.9 -34.34 59.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.119 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -74.41 -20.57 79.56 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.465 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.4 m170 -92.51 -49.85 5.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.773 0.321 . . . . 0.0 110.843 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -52.88 -30.53 34.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -33.13 69.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.0 tttp -83.05 -40.9 19.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 80.2 mt -61.87 -60.74 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 33.0 mt -52.71 -42.63 65.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.935 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -55.61 -26.2 42.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.31 -43.58 8.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 77.2 mt -58.6 -40.67 79.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.143 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -64.94 -45.34 86.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 14.8 t -70.66 -26.67 63.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.849 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.2 mtm -68.38 -58.93 3.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -52.09 -47.4 65.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.839 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 93.6 t -54.91 -26.28 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.136 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -94.83 -73.98 0.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 38.8 pt -85.15 155.23 3.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -171.41 124.12 0.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -74.32 144.89 44.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.936 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.5 m 55.85 70.28 1.58 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.707 0.765 . . . . 0.0 110.851 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 170.55 16.24 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.683 2.256 . . . . 0.0 112.38 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 16.1 p -89.39 165.86 14.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.167 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -131.99 176.82 8.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.106 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.66 173.74 7.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -56.18 117.61 3.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.087 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 59.7 p -116.62 175.37 5.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.8 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -79.67 171.04 54.53 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 176.56 6.68 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.66 2.24 . . . . 0.0 112.34 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.62 95.11 2.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.99 158.32 21.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.838 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 179.978 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 m -153.68 37.25 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.864 0.364 . . . . 0.0 110.851 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -71.73 135.56 46.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.48 165.41 28.71 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.524 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 m -119.9 -178.23 3.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 0.0 110.916 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 p -63.52 -47.32 82.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.43 -108.07 2.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.455 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -129.3 170.14 13.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.796 0.331 . . . . 0.0 110.879 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.97 71.07 75.11 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.567 0.699 . . . . 0.0 110.877 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 90.71 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.725 2.284 . . . . 0.0 112.35 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -86.31 159.74 19.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.962 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -137.5 151.44 48.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -98.62 82.06 2.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.818 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.11 159.64 20.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.7 p -110.76 59.42 0.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.839 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 63.5 mt -110.51 133.07 21.24 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.614 0.721 . . . . 0.0 111.092 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -177.63 1.97 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.67 2.247 . . . . 0.0 112.348 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -95.88 129.08 43.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -95.44 22.98 6.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.8 p -121.59 30.35 6.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.04 25.63 8.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.083 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -109.18 177.7 4.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.0 t -165.72 -41.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.146 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -132.3 157.36 44.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.9 t -56.96 -50.43 76.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.069 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -52.56 -34.49 50.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -76.99 -50.65 12.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 13.1 t90 -55.47 -56.8 15.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 71.3 mt -55.6 -37.14 67.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.9 t -69.7 -18.23 63.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.39 -6.43 56.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.123 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.2 pt -124.01 11.38 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.1 mtmt 67.11 12.66 9.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.962 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 87.5 mmm -105.14 22.84 14.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.823 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.17 -21.86 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.148 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 28.2 pt20 -55.46 -25.48 36.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -100.03 27.51 5.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.8 ptp85 -71.79 -26.2 62.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.88 -27.48 18.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.7 -43.31 99.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -77.23 -41.65 40.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 26.9 mt -54.99 -60.05 3.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.7 t -60.46 -33.21 72.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.182 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.54 -21.28 66.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.081 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 107.44 16.46 13.13 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.452 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -113.66 87.42 2.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.993 0.425 . . . . 0.0 110.846 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.9 p -97.6 -25.24 15.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.101 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.9 m -107.99 138.57 44.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.858 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.9 mt -59.78 -31.03 69.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -52.96 -30.43 34.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.957 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.6 mt -87.38 -26.26 23.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 99.6 t -78.29 -23.02 13.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.163 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 34.1 p -67.0 -21.25 65.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -105.5 25.66 10.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 26.2 mtp -96.09 162.57 13.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.7 t -136.54 173.47 11.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.069 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.37 -36.59 54.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -68.04 -32.05 72.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -68.17 -26.09 65.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.1 mt -74.65 -37.78 62.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.06 -18.93 60.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -75.72 -38.06 58.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.831 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 37.9 pt -81.65 -25.66 9.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.16 -37.16 1.43 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.475 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 64.6 mt -51.66 103.2 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.926 0.394 . . . . 0.0 111.102 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 45.3 p -124.67 33.9 5.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.103 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.92 106.16 15.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.2 -33.75 63.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -74.85 -19.6 79.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.517 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 34.1 m170 -93.8 -48.7 6.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.803 0.335 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -52.43 -30.5 29.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.68 -35.14 68.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -81.17 -38.66 26.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 66.6 mt -64.5 -62.66 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.134 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.9 mt -52.81 -40.75 63.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 -57.69 -27.94 63.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.9 t -89.79 -40.0 12.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 75.8 mt -61.2 -46.14 97.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -60.97 -35.47 76.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.7 m -79.95 -26.45 40.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.4 mtm -70.66 -55.34 8.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.13 -38.8 58.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 93.0 t -65.16 -50.71 72.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.092 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -69.1 -73.95 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 49.2 pt -84.18 154.09 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.115 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -172.42 118.61 0.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 59.8 26.9 16.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.927 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.9 m -57.79 160.6 7.82 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.729 0.776 . . . . 0.0 110.852 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 95.47 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.666 2.244 . . . . 0.0 112.342 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.87 162.81 35.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -171.15 159.73 6.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.105 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -122.68 166.5 14.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -168.29 86.21 0.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.6 t -71.81 178.73 3.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -171.98 73.64 0.1 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.467 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 85.22 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.673 2.249 . . . . 0.0 112.328 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 35.7 t -169.97 81.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.804 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.6 t -89.8 -34.81 16.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.495 -179.986 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.0 p -135.75 -42.78 0.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.884 0.373 . . . . 0.0 110.844 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 m -127.02 47.92 2.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.882 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.72 133.59 8.1 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.62 -28.87 57.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.864 0.364 . . . . 0.0 110.849 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 p -106.74 174.52 5.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.44 157.05 15.67 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.443 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.2 p -109.63 -45.85 3.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.782 0.325 . . . . 0.0 110.855 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.1 mp0 53.31 68.99 2.5 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.545 0.688 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -172.63 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.726 2.284 . . . . 0.0 112.34 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -112.67 -176.73 2.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.935 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 pp -149.7 123.96 9.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 60.95 -172.64 0.14 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.5 -172.7 3.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.22 170.39 9.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 67.0 mt -66.54 133.09 94.24 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.6 0.714 . . . . 0.0 111.165 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -178.57 2.43 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.678 2.252 . . . . 0.0 112.324 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.9 114.05 25.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.857 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -78.73 -29.73 45.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 20.9 p -92.33 44.63 1.17 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.9 25.94 1.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.137 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -112.24 137.39 50.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.5 t -124.48 -36.12 2.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.17 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 37.4 p -127.2 134.35 50.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 96.5 t -51.66 -31.85 13.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.155 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -60.95 -35.35 76.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -76.65 -50.79 12.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 12.7 t90 -52.86 -56.08 18.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.922 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 64.8 mt -55.7 -36.59 67.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.8 t -69.87 -18.36 63.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.32 -6.16 56.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.08 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.9 pt -124.19 11.17 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.156 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.0 mttt 67.37 12.52 8.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 84.8 mmm -104.97 22.62 14.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -57.8 -22.13 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.101 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -55.44 -25.41 36.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -100.31 27.61 5.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.4 ptp85 -72.15 -26.51 62.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.97 -30.5 19.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.58 -45.42 89.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.83 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -77.39 -42.65 35.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.8 mt -54.37 -62.8 1.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.7 t -57.46 -30.95 65.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.51 -19.95 64.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 111.61 -17.39 25.71 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.503 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -78.4 77.56 4.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.922 0.391 . . . . 0.0 110.912 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 58.1 p -84.71 -32.0 23.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 m -107.82 134.89 50.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -52.75 -29.37 26.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.932 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -53.05 -28.92 26.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.9 mt -89.15 -26.1 21.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.4 t -77.94 -30.29 16.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.4 p -60.82 -24.36 65.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -101.21 25.7 7.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 39.0 mmt -105.47 -178.03 3.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.5 t -152.26 174.49 13.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.127 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.09 -37.08 52.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -61.35 -42.13 98.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.886 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -61.64 -29.06 69.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.5 mt -67.61 -36.86 81.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.01 -18.95 59.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -76.48 -38.1 55.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 37.0 pt -80.44 -27.76 11.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.094 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 146.46 -36.8 1.25 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.464 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 59.3 mt -52.94 102.26 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.93 0.395 . . . . 0.0 111.124 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 59.4 p -123.22 39.0 4.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.124 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.24 111.42 20.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.947 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.22 -30.39 69.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -79.68 -20.31 68.85 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.49 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 34.7 m170 -93.94 -37.98 11.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.723 0.297 . . . . 0.0 110.847 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -61.49 -32.57 72.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.05 -38.19 64.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -74.78 -45.85 40.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 75.6 mt -57.67 -62.33 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.1 mt -53.44 -39.82 64.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -58.45 -26.31 63.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.56 -40.73 10.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.858 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 79.2 mt -63.43 -45.08 98.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -56.9 -39.16 73.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.57 -26.45 34.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -68.92 -47.98 64.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.861 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.46 -40.78 95.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 92.6 t -62.17 -25.3 37.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -94.67 -71.46 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 31.3 pt -88.15 168.82 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.96 99.87 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -109.65 166.57 10.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.37 160.57 27.93 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.677 0.751 . . . . 0.0 110.889 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 116.32 4.5 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.72 2.28 . . . . 0.0 112.326 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.31 164.74 14.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.128 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -142.54 152.05 42.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 4.0 ttp 57.62 72.02 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -100.47 39.89 1.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.61 88.12 2.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.809 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 100.75 171.49 29.02 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.512 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -171.88 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.711 2.274 . . . . 0.0 112.328 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.06 172.46 12.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.4 t -137.03 154.23 50.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.5 -179.974 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.05 172.54 6.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.869 0.366 . . . . 0.0 110.857 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.4 p -74.11 -178.15 3.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.76 -146.27 18.04 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.45 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.6 t -149.11 -68.54 0.21 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.839 0.352 . . . . 0.0 110.874 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.84 -49.59 1.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.03 131.7 1.44 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.455 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.3 m 57.93 81.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.805 0.336 . . . . 0.0 110.866 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -129.93 71.92 82.06 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.521 0.677 . . . . 0.0 110.926 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 105.62 1.51 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.65 2.233 . . . . 0.0 112.354 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 40.3 mt -71.74 155.88 39.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -163.77 153.95 15.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.15 -74.09 0.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 58.32 74.49 0.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.5 m -134.99 84.6 2.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 67.5 mt -101.52 133.07 21.06 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.64 0.733 . . . . 0.0 111.144 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -171.87 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.663 2.242 . . . . 0.0 112.36 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -107.43 123.53 48.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.827 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -94.16 -26.04 16.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.2 p -92.1 44.5 1.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.089 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.73 24.99 1.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.072 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -104.84 -175.32 2.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.2 t -169.09 -38.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.1 p -130.61 135.9 48.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 98.9 t -51.63 -30.03 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.84 -36.38 83.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.46 -49.29 13.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 11.8 t90 -52.72 -56.68 13.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.4 mt -55.79 -36.73 67.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.0 t -69.29 -17.89 63.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.14 -8.25 54.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.144 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.3 pt -121.98 11.22 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.203 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt 67.13 12.76 9.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.937 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 86.9 mmm -105.39 23.3 13.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.56 -21.34 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.134 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -55.46 -25.62 37.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -101.03 27.69 5.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.5 ptp85 -71.59 -26.04 62.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -87.42 -32.39 19.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.44 -46.73 80.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -75.23 -42.42 55.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.5 mt -55.74 -62.87 1.4 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.8 t -57.74 -31.04 66.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.158 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.83 -20.04 65.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.107 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.88 -17.49 22.6 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.495 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -80.4 85.55 5.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.957 0.408 . . . . 0.0 110.887 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 44.8 p -92.67 -26.71 17.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.6 m -113.05 134.23 54.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -53.31 -28.79 30.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.39 -29.76 25.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 81.1 mt -90.08 -25.93 20.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.955 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 92.6 t -77.11 -27.63 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.122 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 70.4 p -63.17 -24.82 68.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -101.71 25.76 8.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 35.6 mmt -102.88 -176.18 3.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.5 t -153.2 174.26 14.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.147 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.0 -42.45 62.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -57.16 -46.43 82.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -55.18 -28.55 53.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.6 mt -68.49 -37.47 80.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.54 -19.01 59.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.3 mtp85 -75.92 -38.82 57.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 36.9 pt -80.15 -27.56 12.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 146.12 -36.83 1.28 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.529 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 61.3 mt -52.22 102.78 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.914 0.387 . . . . 0.0 111.135 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 73.8 p -124.21 38.53 4.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.175 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.13 104.96 11.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.25 -34.6 61.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.058 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -72.61 -20.77 79.72 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -94.17 -41.63 9.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.737 0.303 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -59.52 -29.71 68.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.961 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.28 -32.06 66.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.9 tttt -83.49 -45.16 13.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 78.8 mt -57.75 -60.45 2.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.185 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 37.0 mt -52.77 -41.96 64.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -55.53 -26.35 42.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.5 t -94.09 -49.65 5.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.847 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 62.2 mt -53.06 -34.42 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -71.5 -47.67 53.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.7 m -67.21 -26.26 66.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.4 mtm -68.28 -57.95 5.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.857 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -55.29 -42.84 74.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 98.0 t -60.07 -25.25 32.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.098 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -95.96 -74.45 0.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 49.3 pt -78.92 -176.09 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.126 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.1 t 61.95 58.1 1.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 52.46 83.44 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.7 t -171.96 70.27 0.45 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.648 0.737 . . . . 0.0 110.816 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.86 138.54 37.74 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.695 2.263 . . . . 0.0 112.305 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -80.74 -74.8 0.3 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -179.14 128.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.104 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -32.06 67.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -162.38 102.39 1.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.112 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.4 t -94.55 85.76 4.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.06 -176.24 54.63 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.476 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 93.58 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.689 2.259 . . . . 0.0 112.333 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.05 119.45 28.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.35 147.45 4.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.874 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.441 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -138.95 114.85 10.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.819 0.343 . . . . 0.0 110.84 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m 63.11 82.53 0.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.821 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.54 122.32 3.38 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.473 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t 62.38 -178.5 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.915 0.388 . . . . 0.0 110.82 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.04 146.39 28.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.876 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.54 128.36 1.2 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.484 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.5 m 54.81 51.41 13.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.856 0.36 . . . . 0.0 110.844 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 28.6 mm100 -118.24 73.12 9.99 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.56 0.695 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 126.02 12.81 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.674 2.249 . . . . 0.0 112.326 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.64 167.93 9.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.37 30.5 7.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -92.24 64.27 4.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 32.7 mtm-85 -84.81 84.6 7.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.93 156.48 9.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 57.1 mt -91.73 133.05 31.54 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.593 0.711 . . . . 0.0 111.144 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -171.11 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.702 2.268 . . . . 0.0 112.357 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -96.49 125.86 41.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -93.98 -26.04 16.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 52.4 p -90.36 63.97 5.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.128 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -159.51 24.49 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -111.68 137.05 50.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.4 t -123.13 -42.41 2.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.104 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.4 p -122.81 135.78 54.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.138 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 98.4 t -51.89 -30.9 12.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -61.29 -34.86 75.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.01 -50.19 12.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 12.6 t90 -52.92 -56.43 15.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 62.1 mt -55.62 -36.48 67.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.944 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.8 t -69.95 -18.41 63.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.44 -5.44 57.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.128 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.5 pt -124.82 11.04 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.146 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt 67.54 12.44 8.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 81.0 mmm -104.92 22.68 14.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -58.16 -21.93 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -55.55 -25.3 37.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -100.77 27.52 5.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -72.6 -26.85 61.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.33 -26.46 19.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.25 -42.52 99.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -78.52 -43.55 26.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.7 mt -52.01 -60.91 2.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 12.6 t -60.2 -32.85 71.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.66 -21.3 66.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.063 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 108.48 17.09 10.94 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.474 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -113.87 73.6 0.83 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.952 0.406 . . . . 0.0 110.879 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 48.3 p -78.51 -32.71 48.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.155 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.5 m -110.1 147.19 34.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.828 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.43 -27.61 69.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.38 -27.39 36.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 66.1 mt -89.75 -25.87 20.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.5 t -80.98 -28.38 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.103 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 38.3 p -62.12 -24.8 67.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.169 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -101.29 25.71 7.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 36.5 mmt -104.45 -175.98 2.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.5 t -151.21 174.01 13.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.158 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.02 -30.17 24.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -64.35 -41.45 96.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -59.88 -36.92 77.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.853 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 19.7 mt -63.95 -41.89 97.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.38 -19.42 59.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -74.87 -40.23 61.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 34.4 pt -78.91 -28.21 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 146.64 -36.58 1.24 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.537 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 60.0 mt -52.35 102.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.912 0.387 . . . . 0.0 111.137 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 76.4 p -123.78 13.97 9.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -81.63 111.49 17.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.22 -40.95 68.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.082 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -71.7 -19.99 78.32 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.501 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.3 m170 -87.39 -48.64 7.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.756 0.312 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -53.8 -35.06 60.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -25.88 64.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -88.98 -47.07 8.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 75.6 mt -60.69 -59.86 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.073 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 58.8 mt -53.02 -41.96 65.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.942 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -58.96 -26.69 64.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.96 -41.76 10.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.886 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 80.8 mt -64.62 -43.9 96.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.129 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -60.29 -39.25 86.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.832 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.6 m -79.91 -26.57 40.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -68.11 -56.0 10.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.929 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -53.16 -42.32 66.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 92.0 t -60.75 -25.29 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -96.12 -74.45 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 18.7 pt -81.63 -179.48 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.5 t 57.91 41.76 24.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.35 150.54 48.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.2 m -155.78 70.19 5.25 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.634 0.731 . . . . 0.0 110.87 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 122.31 8.98 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.691 2.26 . . . . 0.0 112.334 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.1 m -82.08 -28.54 32.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.164 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 59.4 76.84 0.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.065 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -122.62 166.33 15.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -89.6 118.03 28.92 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 68.8 m -136.99 95.44 3.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -151.62 71.69 0.29 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.452 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 91.44 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.714 2.276 . . . . 0.0 112.33 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 30.7 t -72.34 127.55 32.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.85 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 20.4 m -135.15 152.32 51.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 -179.963 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -62.96 136.48 57.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.852 0.358 . . . . 0.0 110.844 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.86 156.04 20.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.859 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.31 164.74 10.52 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.462 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 t -167.66 157.68 10.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.899 0.381 . . . . 0.0 110.847 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -170.25 145.9 2.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.836 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.79 -153.82 24.2 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.466 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.8 t -145.7 37.54 1.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.838 0.352 . . . . 0.0 110.877 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -117.2 72.55 6.64 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.631 0.729 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -177.64 1.96 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.717 2.278 . . . . 0.0 112.364 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 56.11 -174.74 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.957 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 32.8 mt 54.8 35.0 23.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -88.14 109.91 20.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.82 37.2 2.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 t 54.03 50.32 16.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.3 mm -56.84 133.16 79.18 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.605 0.716 . . . . 0.0 111.094 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -171.32 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.67 2.247 . . . . 0.0 112.313 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.01 127.76 53.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -98.48 -27.0 14.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 20.3 p -91.91 44.61 1.18 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.184 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.42 25.08 1.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.072 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -104.55 -175.3 2.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.0 t -168.33 -38.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.13 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.4 p -129.71 135.11 48.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.152 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.1 t -51.74 -30.43 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -62.42 -35.96 80.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.61 -49.33 13.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 11.8 t90 -52.37 -57.03 11.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 60.2 mt -55.79 -36.52 67.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.957 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.0 t -69.38 -18.13 63.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.92 -8.09 54.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.102 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.3 pt -122.19 11.23 5.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.9 mttt 67.14 12.71 9.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 88.0 mmm -105.32 23.27 13.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.9 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.51 -21.7 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -55.42 -25.49 36.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -100.95 27.79 5.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -73.05 -27.35 61.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.86 -27.66 20.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.21 -40.83 95.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -78.78 -43.53 25.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 34.6 mt -53.08 -60.42 3.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.8 t -56.64 -35.31 68.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.9 -20.08 65.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.091 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.04 -16.9 22.61 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.518 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -77.32 89.36 3.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.924 0.392 . . . . 0.0 110.868 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 63.8 p -99.46 -24.91 14.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.154 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.7 m -115.17 133.42 56.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -53.05 -28.85 26.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.929 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.12 -29.88 23.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 75.4 mt -91.09 -25.64 19.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 96.0 t -75.68 -24.04 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.151 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 51.7 p -69.19 -22.41 63.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -100.7 20.8 14.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 8.2 mtm -100.05 177.55 5.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.0 t -149.86 175.22 11.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.106 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.1 t -51.91 -38.73 57.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -60.49 -32.91 71.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -70.86 -29.28 65.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.5 mt -68.63 -40.07 80.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.17 -19.14 60.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.924 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -75.52 -38.21 59.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 37.9 pt -81.42 -26.19 10.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.84 -37.22 1.36 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.413 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 63.5 mt -51.65 103.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.903 0.383 . . . . 0.0 111.136 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 72.8 p -124.69 27.55 6.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.138 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.33 105.47 16.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.93 -34.62 60.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -74.96 -19.61 79.85 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.463 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 36.5 m170 -92.75 -48.37 6.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.805 0.336 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -51.97 -34.29 41.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -52.64 -33.24 45.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -81.26 -52.74 7.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 51.5 mt -54.84 -58.98 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 22.0 mt -53.07 -42.86 66.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -59.16 -26.08 64.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.25 -41.21 12.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 61.6 mt -65.96 -39.48 84.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.129 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -64.96 -32.41 74.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.9 t -86.87 -26.48 23.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -70.39 -42.88 71.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -66.03 -42.27 89.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 99.9 t -61.64 -25.36 36.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.084 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -95.31 -72.85 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 11.4 pt -88.61 175.13 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.158 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.4 t 62.92 63.07 0.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -69.11 97.43 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.3 m -150.61 70.43 8.85 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.653 0.74 . . . . 0.0 110.865 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 107.17 1.8 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.699 2.266 . . . . 0.0 112.312 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.02 98.58 8.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 58.31 94.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.092 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -126.27 -47.27 1.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -105.69 53.45 0.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.08 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.78 142.03 31.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -97.71 -173.56 33.51 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.495 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -37.39 9.24 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.671 2.247 . . . . 0.0 112.36 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 31.9 p -103.27 102.13 12.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.819 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.56 -36.34 3.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.83 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.463 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.0 m -148.57 108.09 3.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.836 0.351 . . . . 0.0 110.89 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.3 m -84.13 114.31 21.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.54 -51.09 0.1 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.473 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.9 m -55.88 -32.64 63.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.0 110.889 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.4 t -167.82 162.42 13.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.86 37.25 8.63 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.504 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.3 m -144.94 104.56 4.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.33 . . . . 0.0 110.822 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -116.38 71.41 4.67 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.577 0.703 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 171.64 14.1 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.66 2.24 . . . . 0.0 112.351 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.3 mt -107.14 138.86 42.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.46 108.44 19.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -128.29 57.44 1.57 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -78.22 176.34 9.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.47 112.38 9.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.4 mm -73.94 133.2 79.18 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.623 0.725 . . . . 0.0 111.143 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -173.78 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.685 2.257 . . . . 0.0 112.348 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -97.37 110.43 22.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -77.76 -26.31 49.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.6 p -94.39 38.44 1.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.86 25.39 5.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.121 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -113.73 175.94 5.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.5 t -157.37 -42.22 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.121 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -133.04 159.38 40.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 78.2 t -57.77 -48.43 83.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.098 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -52.17 -38.09 56.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.29 -50.46 14.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 13.4 t90 -53.49 -55.99 20.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 61.0 mt -55.72 -36.59 67.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.3 t -70.22 -17.69 63.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.06 -7.05 54.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.101 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.4 pt -123.14 11.51 5.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.106 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt 67.03 12.85 9.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 87.8 mmm -105.15 22.63 15.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.87 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -57.99 -22.11 18.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.169 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -55.6 -25.43 38.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -100.54 27.44 5.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.942 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -72.58 -25.99 61.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -88.8 -28.28 20.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.53 -43.56 98.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -77.03 -42.91 36.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 25.7 mt -55.21 -54.57 41.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.6 t -67.31 -30.77 70.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.28 -20.26 65.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.085 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.54 -16.73 23.91 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.494 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -83.71 88.91 7.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.942 0.401 . . . . 0.0 110.906 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 48.6 p -99.63 -25.32 14.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.133 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 m -107.18 136.5 46.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.4 mt -59.41 -31.52 69.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -54.05 -27.87 35.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 85.6 mt -89.65 -26.23 20.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.7 t -73.98 -24.66 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.124 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 66.9 p -66.67 -23.67 66.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -99.54 22.26 11.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 11.6 mtm -105.83 165.24 11.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.3 t -136.87 174.56 10.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.17 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.08 -30.13 24.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.818 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -66.28 -39.3 89.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.42 -29.31 70.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.906 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.5 mt -68.22 -38.3 81.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.12 -19.15 60.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -75.58 -38.25 59.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 37.9 pt -81.35 -26.13 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.167 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.65 -37.03 1.39 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.531 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 63.9 mt -51.77 103.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.908 0.385 . . . . 0.0 111.121 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 67.5 p -124.1 25.37 7.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.72 106.36 18.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.45 -37.92 63.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.078 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -72.4 -20.56 79.41 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.1 m170 -90.67 -42.55 10.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.726 0.298 . . . . 0.0 110.849 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -57.45 -33.45 67.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.67 -30.32 55.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.892 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.0 tttt -82.89 -47.51 11.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 69.0 mt -58.61 -59.24 3.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.131 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 47.7 mt -53.4 -44.83 69.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 -55.66 -26.17 43.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.41 -51.91 5.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.826 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 62.0 mt -51.8 -36.01 18.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -70.38 -36.12 73.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.0 m -77.73 -26.93 50.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 3.5 mtm -70.92 -54.84 9.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.83 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -52.31 -36.79 54.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 90.3 t -66.98 -49.32 74.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -72.36 -73.83 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 39.4 pt -83.24 166.05 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -178.95 -62.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 56.5 88.36 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.52 160.52 30.29 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.665 0.745 . . . . 0.0 110.878 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -17.92 37.47 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.686 2.257 . . . . 0.0 112.349 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -94.73 138.02 33.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.145 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -119.61 158.91 25.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.112 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 1.5 mtp 58.13 -179.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 55.34 63.74 1.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.08 91.97 2.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 56.4 67.92 1.96 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.498 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -38.43 7.74 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.69 2.26 . . . . 0.0 112.371 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.5 t -75.74 -56.11 5.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.8 t 60.26 46.09 10.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.469 179.987 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.42 -0.272 . . . . 0.0 112.42 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 56.46 43.53 25.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.89 0.376 . . . . 0.0 110.856 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.83 117.22 4.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.832 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.05 90.73 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.529 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 m -109.18 167.12 10.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.902 0.382 . . . . 0.0 110.835 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 t -54.79 156.8 3.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.845 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.4 114.31 0.6 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.503 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.7 m -125.12 148.28 48.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.847 0.356 . . . . 0.0 110.814 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -57.03 160.57 5.99 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.639 0.733 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -172.33 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.692 2.261 . . . . 0.0 112.335 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 36.8 mt -56.78 170.29 0.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -95.18 39.67 1.11 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.71 62.84 0.86 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.04 -49.16 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.8 m -150.0 102.24 3.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 63.8 mt -73.56 133.11 80.4 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.628 0.727 . . . . 0.0 111.085 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -177.84 2.09 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.312 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -96.51 122.61 39.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -92.61 -26.46 17.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.1 p -93.64 43.33 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.171 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.99 28.52 2.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -113.74 -176.24 2.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.849 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.6 t -166.69 -41.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.172 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.33 154.27 46.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 67.5 t -56.52 -44.89 81.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.36 -34.36 70.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -75.49 -46.67 31.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 10.4 t90 -57.95 -56.26 24.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.949 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 97.4 mt -55.68 -36.09 66.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.7 t -68.75 -18.71 64.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.27 -7.42 56.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.111 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.4 pt -122.89 10.82 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.173 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.5 mtmt 67.24 12.59 9.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 88.3 mmm -105.29 23.63 13.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -59.42 -20.3 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -55.54 -25.34 37.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -100.43 27.54 5.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -72.27 -25.35 61.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -87.93 -29.47 20.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.3 -44.23 97.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -73.29 -44.32 59.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.826 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.0 mt -55.85 -63.0 1.32 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.6 t -57.1 -30.9 64.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.169 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.15 -19.97 64.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.12 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 111.7 -17.19 25.67 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.519 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -82.48 89.16 6.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.95 0.405 . . . . 0.0 110.874 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 68.0 p -96.81 -25.12 15.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.0 m -109.32 140.77 42.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.6 mt -61.68 -30.74 70.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -55.61 -26.12 42.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.7 mt -90.42 -26.32 19.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 94.1 t -78.01 -26.63 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 69.7 p -62.6 -24.8 67.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -101.69 25.73 8.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 35.3 mmt -103.91 169.42 8.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.5 t -140.04 174.03 10.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.159 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.9 t -52.06 -39.75 60.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.808 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -58.63 -36.64 74.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.852 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -66.96 -28.46 68.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.3 mt -69.3 -38.88 78.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.14 -19.16 60.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.55 -38.28 59.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 37.9 pt -81.27 -26.24 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.162 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.82 -37.14 1.37 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 63.2 mt -51.64 103.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.879 0.371 . . . . 0.0 111.128 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 44.2 p -126.09 40.21 3.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.153 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.65 106.61 14.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.95 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.31 -31.97 55.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -77.57 -19.64 75.72 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.441 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 39.8 m170 -93.32 -45.95 7.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.731 0.3 . . . . 0.0 110.836 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -55.07 -33.7 62.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.13 -29.55 63.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.1 tttp -83.12 -48.78 10.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 72.8 mt -55.75 -61.43 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.107 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.4 mt -52.05 -43.56 63.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.96 -28.37 36.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.87 -45.03 9.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 75.5 mt -54.25 -48.85 66.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.144 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -56.4 -37.51 70.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.7 m -77.92 -26.76 49.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.8 mtm -71.09 -55.07 9.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -52.12 -37.3 53.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 91.1 t -66.8 -43.98 89.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -76.71 -74.38 0.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 29.9 pt -83.96 159.43 3.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.148 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.6 p -169.4 36.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -167.64 -42.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.3 t 52.61 68.46 3.06 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.695 0.759 . . . . 0.0 110.891 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 112.83 3.18 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.674 2.249 . . . . 0.0 112.387 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.29 163.8 28.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.182 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -137.48 87.57 2.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.116 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 26.3 ttp -141.21 81.33 1.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.945 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -156.82 148.34 22.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.084 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 25.5 p -146.68 147.43 30.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -162.54 73.61 0.19 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -33.24 17.07 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.68 2.254 . . . . 0.0 112.348 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.0 t -155.87 46.79 0.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.841 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.4 m 55.42 33.61 21.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.518 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -170.58 -179.46 2.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.885 0.374 . . . . 0.0 110.872 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 t -133.28 119.77 20.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.77 98.06 2.18 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.57 113.8 5.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.849 0.357 . . . . 0.0 110.894 -179.724 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.0 p -74.31 -175.64 2.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.89 22.62 4.82 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.506 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.9 p -108.5 38.37 2.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.83 0.348 . . . . 0.0 110.862 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -100.87 160.57 26.36 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.544 0.687 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 79.15 0.97 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.679 2.253 . . . . 0.0 112.313 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 63.11 163.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.57 152.79 32.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.04 178.74 7.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -170.25 173.42 5.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 p -158.28 162.83 37.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.843 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 59.4 mt -60.62 133.06 91.44 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.65 0.738 . . . . 0.0 111.131 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -173.26 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.685 2.257 . . . . 0.0 112.345 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -101.1 130.05 47.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.858 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -100.05 -26.37 13.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.6 p -93.45 42.02 1.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.38 25.69 4.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.121 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -111.8 -171.59 1.87 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.8 t -171.7 -41.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.159 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -132.46 151.07 52.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.164 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 90.7 t -52.52 -48.99 46.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.094 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -52.15 -38.44 57.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.87 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.22 -50.86 13.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 13.1 t90 -52.9 -55.98 19.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.943 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 60.5 mt -55.72 -36.59 67.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.926 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.8 t -69.88 -18.19 63.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.32 -7.67 54.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.114 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.8 pt -122.56 11.42 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.182 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 67.06 12.81 9.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 87.0 mmm -105.12 22.67 14.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -57.99 -22.29 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.09 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -55.49 -25.56 37.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -100.18 27.5 5.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.961 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.9 ptp85 -71.56 -26.05 62.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.848 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -91.3 -27.04 18.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.839 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.8 -42.82 99.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -78.07 -41.76 34.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 30.5 mt -55.8 -59.86 4.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.6 t -62.3 -30.71 71.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.9 -20.35 65.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.066 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.38 -16.84 21.83 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.537 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -84.42 88.85 7.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.909 0.385 . . . . 0.0 110.891 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 81.3 p -99.31 -25.78 14.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.6 m -105.68 133.94 49.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 33.4 mt -57.71 -32.22 67.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -54.46 -27.42 37.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 81.2 mt -88.3 -26.04 22.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 94.5 t -75.01 -24.39 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 50.1 p -66.59 -23.71 66.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -99.73 22.22 11.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 14.1 mtm -105.82 164.77 11.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.3 t -135.93 174.66 10.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.03 -30.19 24.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.82 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -66.28 -38.16 87.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -65.66 -28.63 69.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.846 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.4 mt -68.77 -38.08 79.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.2 -19.11 59.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.953 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -75.58 -38.31 59.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 37.9 pt -81.3 -26.21 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.117 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.84 -37.15 1.37 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 63.8 mt -51.74 103.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.941 0.401 . . . . 0.0 111.106 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 81.8 p -125.32 25.28 7.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.49 107.94 20.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.45 -38.03 63.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -72.78 -19.77 79.47 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.514 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -89.83 -48.32 7.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.757 0.313 . . . . 0.0 110.838 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -52.41 -34.99 50.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.28 -34.38 46.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.8 tttp -81.76 -47.27 13.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 73.1 mt -56.49 -59.94 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 47.4 mt -54.07 -42.29 69.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -57.64 -26.01 61.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.77 -47.26 7.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 62.3 mt -58.17 -36.82 59.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.102 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -68.32 -38.1 81.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.851 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.7 m -77.79 -26.52 49.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 4.9 mtm -68.97 -56.93 6.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.13 -39.01 59.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 93.5 t -65.56 -50.4 72.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 37.9 mm-40 -70.17 -74.46 0.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 45.9 pt -83.44 156.68 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.7 t -174.65 131.01 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -64.24 -172.9 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.95 160.57 2.17 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.665 0.745 . . . . 0.0 110.824 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 105.31 1.46 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.688 2.259 . . . . 0.0 112.298 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.1 t -98.56 -29.55 13.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.11 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 62.87 91.22 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.094 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.93 77.06 1.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -148.9 154.7 39.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 39.5 m -156.81 42.72 0.36 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.895 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 168.54 -73.66 0.13 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.423 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 147.22 62.43 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.687 2.258 . . . . 0.0 112.373 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -145.21 144.07 30.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.2 m 55.11 49.07 18.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.445 -179.949 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.2 t -124.2 120.59 32.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.847 0.356 . . . . 0.0 110.883 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.9 t -128.03 91.87 3.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.93 99.42 0.12 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.472 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -61.4 162.09 8.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.913 0.387 . . . . 0.0 110.848 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.34 38.02 1.97 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.03 -95.94 1.06 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.502 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.0 t -174.08 -43.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.838 0.351 . . . . 0.0 110.859 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -118.81 68.84 8.69 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.57 0.7 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -178.64 2.45 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.664 2.243 . . . . 0.0 112.357 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.2 mp -126.46 173.2 9.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.7 mt -101.81 135.46 43.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -79.39 -40.13 30.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -91.81 131.88 36.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 59.9 p -143.24 169.2 18.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.82 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.8 mm -83.19 133.23 48.23 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.652 0.739 . . . . 0.0 111.141 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -178.72 2.47 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.673 2.249 . . . . 0.0 112.344 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -97.16 109.74 22.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -74.07 -33.19 63.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.833 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.1 p -91.88 44.88 1.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.159 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.58 26.42 1.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.123 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -112.02 136.83 50.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 t -122.18 -35.49 3.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.1 p -127.72 134.77 49.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 94.3 t -52.47 -29.95 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.65 -34.62 78.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.859 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.8 -46.81 28.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 10.0 t90 -56.2 -56.17 24.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 92.4 mt -56.14 -34.65 66.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.7 t -70.0 -17.95 63.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.11 -7.91 54.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.107 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.7 pt -121.93 10.93 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.8 mttt 67.35 12.55 8.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 86.1 mmm -105.32 23.5 13.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.56 -21.29 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.126 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -55.47 -25.53 37.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -100.13 27.49 5.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.936 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -71.92 -25.53 61.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.857 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -89.67 -28.66 19.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.21 -43.82 97.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -75.58 -42.14 52.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.0 mt -57.29 -61.64 2.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.6 t -57.58 -30.96 65.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.12 -20.6 65.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 108.1 16.73 11.86 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.448 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -113.2 74.32 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.933 0.397 . . . . 0.0 110.898 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 44.9 p -78.67 -26.82 45.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.14 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.5 m -114.56 149.98 35.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.53 -26.93 67.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.928 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -55.64 -26.04 42.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.6 mt -91.88 -26.08 18.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.951 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 92.3 t -80.9 -27.19 11.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.143 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.4 p -63.21 -24.85 68.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -101.78 25.95 8.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 31.6 mmt -103.11 -176.12 3.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.5 t -151.78 173.98 14.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.191 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.06 -33.78 40.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -61.56 -42.69 99.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -58.53 -35.61 72.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.9 mt -61.66 -41.38 97.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.62 -19.26 60.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -75.44 -39.83 58.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 37.1 pt -79.55 -28.41 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.1 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 147.24 -37.01 1.17 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.459 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 60.2 mt -51.61 103.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.929 0.395 . . . . 0.0 111.175 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 61.6 p -122.85 29.95 6.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.145 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.84 107.96 19.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.72 -42.15 67.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.11 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.24 -19.65 72.46 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.46 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 38.5 m170 -90.7 -45.1 9.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.761 0.315 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -57.66 -34.63 69.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.5 ttmm -57.35 -26.84 61.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -87.25 -39.75 15.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 79.6 mt -66.73 -58.61 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.091 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 15.3 mt -53.02 -40.89 64.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.94 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -56.79 -25.99 56.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.933 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.16 -40.92 9.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 81.0 mt -63.06 -44.23 99.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.157 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -61.96 -40.06 94.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.8 m -76.85 -26.61 54.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -67.83 -57.44 6.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.88 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.23 -46.34 65.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 91.1 t -56.09 -26.58 21.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.146 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -93.38 -71.4 0.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 39.5 pt -88.47 152.16 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.6 t -173.73 -41.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -56.37 166.06 0.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 m 56.24 71.52 1.18 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.698 0.761 . . . . 0.0 110.854 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -25.14 28.82 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.637 2.224 . . . . 0.0 112.355 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 61.91 100.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 62.03 96.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.097 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.24 160.85 32.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -71.75 163.59 27.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.085 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.3 p -67.42 -41.38 84.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.828 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 96.49 174.96 35.63 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.5 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 107.69 1.92 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.677 2.251 . . . . 0.0 112.341 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 34.1 t -60.3 -39.15 85.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.4 m -143.9 135.52 26.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.478 -179.947 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -122.58 124.43 43.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.892 0.377 . . . . 0.0 110.862 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.57 107.7 19.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.09 -22.28 52.79 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.49 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.26 159.73 15.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.888 0.375 . . . . 0.0 110.831 -179.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 m -75.0 77.47 2.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.64 179.91 24.8 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.526 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.35 117.36 27.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.347 . . . . 0.0 110.864 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.7 mm100 52.78 68.68 2.85 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.595 0.712 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 108.48 2.08 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.727 2.285 . . . . 0.0 112.308 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.11 178.56 6.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.1 mt 53.74 74.13 0.34 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -73.39 -58.13 3.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 59.98 28.72 18.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 m -103.48 83.39 2.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.788 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 61.3 mt -105.97 133.09 20.37 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.596 0.712 . . . . 0.0 111.116 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -173.57 0.75 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.681 2.254 . . . . 0.0 112.314 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.68 128.68 47.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -95.87 22.96 6.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.3 p -115.86 26.41 10.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.137 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.35 27.62 9.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -110.57 -175.84 2.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.7 t -169.29 -41.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.162 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.89 151.2 50.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 80.9 t -54.07 -47.17 66.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.41 -34.41 64.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -75.74 -46.65 29.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 11.0 t90 -57.84 -56.43 22.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 93.1 mt -56.09 -35.01 66.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.6 t -70.14 -17.89 63.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.45 -7.76 54.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.3 pt -122.15 11.24 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt 67.12 12.69 9.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 88.0 mmm -105.29 23.41 13.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.69 -21.21 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.128 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -55.58 -25.38 37.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.946 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -100.4 27.32 5.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.963 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -72.13 -25.61 61.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.0 -28.95 19.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.8 -44.03 97.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -74.26 -42.53 59.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 40.1 mt -56.92 -62.04 2.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 15.2 t -58.3 -31.61 67.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.174 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.87 -20.04 65.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.71 -17.51 22.99 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.501 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -82.8 88.27 6.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.989 0.423 . . . . 0.0 110.918 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 81.8 p -96.0 -25.16 16.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.174 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.9 m -110.83 140.19 45.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.7 mt -56.65 -32.51 65.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -55.34 -26.28 39.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.4 mt -87.31 -25.85 23.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 92.3 t -84.65 -25.14 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 73.4 p -62.95 -24.53 67.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -105.51 29.54 6.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 35.0 mmt -104.9 179.06 4.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.6 t -146.5 173.85 11.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.122 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.14 -45.96 65.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -55.11 -42.56 73.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -59.27 -26.67 65.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.9 mt -71.09 -36.77 72.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.86 -18.93 59.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 17.7 mtm180 -76.25 -37.79 57.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 37.6 pt -81.1 -26.81 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.105 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.41 -36.9 1.34 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 60.6 mt -52.75 102.48 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.904 0.383 . . . . 0.0 111.12 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 46.9 p -123.23 34.38 5.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.99 104.71 12.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.52 -37.17 62.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.058 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -72.58 -19.97 79.32 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.46 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -91.66 -46.22 8.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.692 0.282 . . . . 0.0 110.824 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -54.12 -33.35 57.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.51 -28.54 60.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.826 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.0 tttt -84.6 -41.78 16.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.907 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 53.4 mt -63.28 -61.33 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.3 mt -52.64 -43.37 65.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -55.31 -26.31 39.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.3 t -91.96 -39.36 11.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 62.4 mt -60.25 -47.0 93.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -57.24 -36.88 71.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.2 m -80.53 -27.32 37.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.1 mtm -68.37 -56.0 10.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -52.24 -42.33 63.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 91.4 t -61.19 -39.97 84.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -77.53 -74.41 0.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 34.1 pt -84.14 145.81 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.7 t -179.21 124.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.41 155.92 23.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.874 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -97.14 160.57 28.69 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.689 0.757 . . . . 0.0 110.878 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -21.5 33.33 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.686 2.257 . . . . 0.0 112.311 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 4.2 m -66.14 129.78 40.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.143 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -137.63 -178.09 5.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.073 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -74.01 94.88 2.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.36 165.85 1.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.093 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.27 126.01 44.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 86.46 -178.61 49.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.477 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 117.52 5.13 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.398 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.33 141.84 55.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -107.66 -59.11 1.88 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 179.978 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -81.62 -64.29 1.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.892 0.377 . . . . 0.0 110.886 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -112.85 -27.31 8.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.82 -86.69 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.496 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.3 m -139.49 83.05 1.92 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.895 0.379 . . . . 0.0 110.864 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -141.81 -177.0 4.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.69 47.24 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.469 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -103.53 144.07 31.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.778 0.323 . . . . 0.0 110.846 -179.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -124.91 72.43 63.2 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.606 0.717 . . . . 0.0 110.937 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 169.25 19.38 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.705 2.27 . . . . 0.0 112.293 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.1 mt -127.57 153.74 46.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.5 mt -63.98 126.81 28.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.952 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -137.0 -47.65 0.59 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -124.65 97.66 5.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.7 p -106.93 68.58 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.6 mm -60.19 133.22 90.36 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.635 0.731 . . . . 0.0 111.128 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -176.46 1.51 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.691 2.26 . . . . 0.0 112.359 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -98.17 117.45 32.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.819 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -82.72 -26.46 31.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.3 p -94.01 41.58 1.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.185 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.14 25.8 4.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.062 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -115.12 -170.83 1.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.6 t -172.49 -40.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.155 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -133.01 154.66 50.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.111 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 44.4 t -54.63 -50.95 55.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -51.98 -31.89 31.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.9 -52.06 7.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 12.9 t90 -53.0 -55.21 25.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 79.5 mt -55.57 -37.16 67.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.9 t -69.59 -18.48 63.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.825 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.27 -6.09 57.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.059 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.4 pt -124.23 11.07 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.134 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 67.41 12.49 8.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 85.6 mmm -105.03 22.81 14.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -58.04 -21.67 17.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.123 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -55.48 -25.44 36.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -99.79 27.34 5.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.6 ptp85 -71.49 -26.19 62.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.0 -27.09 18.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.96 -42.89 99.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -77.61 -43.09 32.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 22.5 mt -54.48 -62.3 1.74 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.6 t -58.93 -30.76 68.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.149 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.34 -20.2 65.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.078 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.6 -17.21 21.03 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.494 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -81.16 89.11 5.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.948 0.404 . . . . 0.0 110.893 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.4 p -98.73 -25.36 14.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.107 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 66.3 m -107.76 136.06 48.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 29.5 mt -58.24 -32.46 68.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -54.93 -26.84 38.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 85.1 mt -86.91 -30.49 21.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.8 t -73.55 -27.42 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.175 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 51.0 p -62.75 -24.98 67.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -101.07 25.65 7.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.947 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 38.1 mmt -103.72 170.93 7.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.7 t -142.31 173.47 11.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.177 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.4 t -52.11 -37.32 53.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -61.12 -33.42 73.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -70.65 -26.77 63.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.8 mt -72.87 -37.39 67.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.37 -19.53 59.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -75.17 -38.1 61.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 37.8 pt -81.48 -26.14 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.75 -37.39 1.36 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.481 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 62.0 mt -51.85 102.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.942 0.401 . . . . 0.0 111.182 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.1 p -117.27 -18.4 9.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.166 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -55.27 108.4 0.41 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.89 -26.47 35.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.079 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -82.12 -21.43 60.92 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.499 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -89.03 -34.06 16.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.699 0.285 . . . . 0.0 110.854 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -69.04 -32.36 71.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.932 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.55 -28.74 70.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -82.27 -46.83 13.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 55.0 mt -57.82 -58.7 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.0 mt -52.64 -43.33 65.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.944 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -57.24 -27.13 61.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.51 -45.72 8.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 77.1 mt -59.77 -45.12 95.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -60.52 -26.75 67.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.859 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.3 m -90.12 -26.61 20.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -68.78 -53.05 23.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -54.8 -45.72 74.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 96.1 t -54.85 -26.98 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.188 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -95.64 -74.34 0.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 37.8 pt -83.67 152.96 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.114 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.1 t -169.73 -55.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.38 -65.68 0.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -146.89 160.62 40.04 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.647 0.737 . . . . 0.0 110.887 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 170.97 15.39 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.687 2.258 . . . . 0.0 112.335 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.2 t -129.6 133.88 47.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -141.79 178.07 7.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.69 -41.77 18.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.85 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 61.4 92.51 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.087 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.4 t -97.04 -59.64 1.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.838 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -57.49 -73.8 0.41 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.474 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 130.88 20.13 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.621 2.214 . . . . 0.0 112.382 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.77 132.49 53.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.11 134.97 53.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.491 -179.975 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -62.04 128.0 34.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.873 0.368 . . . . 0.0 110.853 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.9 m -162.22 156.48 21.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.53 104.19 0.36 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.498 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.66 153.01 4.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.896 0.379 . . . . 0.0 110.895 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 t -88.64 -66.87 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.808 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.24 40.12 0.16 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.554 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.98 163.56 2.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.797 0.332 . . . . 0.0 110.85 -179.669 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -119.73 70.49 13.57 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.569 0.7 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 85.59 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.68 2.253 . . . . 0.0 112.317 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 pp -59.09 152.1 20.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -153.02 169.83 21.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.86 -61.11 1.44 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -83.04 117.55 22.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 55.6 p -87.22 78.07 8.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 62.2 mt -83.95 133.09 46.51 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.572 0.701 . . . . 0.0 111.168 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -178.36 2.34 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.666 2.244 . . . . 0.0 112.308 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -96.63 112.49 24.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.819 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -76.71 -30.35 56.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 20.8 p -91.91 44.57 1.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.131 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.1 25.48 1.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.043 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -111.72 136.17 51.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.856 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.0 t -124.72 -36.37 2.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.089 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.2 p -126.02 133.87 51.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.149 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 96.7 t -51.68 -32.5 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.132 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -60.44 -35.4 75.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -76.64 -51.31 11.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 13.0 t90 -52.63 -56.0 18.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.951 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.9 mt -55.59 -36.57 67.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.8 t -69.87 -18.53 63.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.97 -7.11 56.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.114 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.5 pt -123.21 11.15 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.3 mttt 67.42 12.49 8.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 58.1 mmm -104.71 22.53 14.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -57.74 -22.53 18.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -55.44 -25.48 36.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -100.1 27.54 5.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.8 ptp85 -71.94 -26.03 62.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.12 -29.04 18.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.3 t -59.97 -43.2 95.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -78.39 -43.6 27.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.6 mt -52.18 -62.67 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 12.3 t -58.34 -32.93 68.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.58 -21.28 66.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.091 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 108.12 16.63 12.04 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.446 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -113.14 79.71 1.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.934 0.397 . . . . 0.0 110.887 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 43.7 p -86.94 -25.23 24.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.138 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.8 m -116.53 136.64 52.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -55.57 -26.58 44.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -54.28 -27.63 36.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.3 mt -91.88 -25.96 18.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.1 t -79.18 -27.93 13.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 37.6 p -62.45 -24.87 67.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -101.62 26.05 7.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 36.3 mmt -104.35 -176.05 2.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.6 t -151.93 173.92 14.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.142 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.08 -30.07 24.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -64.13 -44.42 92.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -58.02 -37.15 73.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.838 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.8 mt -61.67 -42.11 98.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.05 -19.21 60.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.0 mtm180 -74.81 -42.36 58.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 33.3 pt -77.0 -30.14 17.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 148.84 -36.29 1.06 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.511 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 58.8 mt -51.72 102.98 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 111.162 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.0 p -124.7 13.5 8.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -81.5 106.98 13.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.95 -33.41 56.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.154 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -78.5 -19.35 74.02 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.473 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.8 m170 -91.03 -46.38 8.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.76 0.314 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -52.7 -39.3 61.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.01 -26.61 38.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -86.72 -43.22 12.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 76.3 mt -61.96 -60.21 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 36.3 mt -53.38 -40.49 65.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -59.35 -26.08 64.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.54 -42.62 9.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 78.0 mt -63.43 -43.24 98.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.134 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -57.59 -40.24 78.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.5 t -81.3 -26.65 35.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -67.49 -51.14 54.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -59.52 -43.93 93.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 97.6 t -60.69 -26.92 39.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -89.74 -71.56 0.6 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 44.8 pt -88.26 154.35 3.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.107 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 t -177.0 113.27 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 55.72 50.52 14.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.3 m -75.07 160.57 80.14 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.694 0.759 . . . . 0.0 110.854 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 112.02 2.96 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.735 2.29 . . . . 0.0 112.334 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.09 162.06 15.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -100.97 -175.08 2.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.117 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 45.3 mtm -107.89 128.45 54.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -126.52 132.04 51.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.4 t -64.89 97.82 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.837 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -82.76 -71.56 1.31 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 94.7 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.639 2.226 . . . . 0.0 112.336 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 36.9 p -65.19 143.01 58.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.68 86.03 4.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.466 179.999 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.459 -0.257 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.3 t -77.62 138.45 39.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.847 0.355 . . . . 0.0 110.892 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.0 m -139.47 92.68 2.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.8 -89.59 0.76 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.459 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.4 t -127.72 67.07 1.33 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.846 0.355 . . . . 0.0 110.86 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.4 p -58.64 143.02 47.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.72 -103.07 0.19 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.466 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.57 -176.14 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.807 0.337 . . . . 0.0 110.868 -179.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.83 73.13 2.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.584 0.706 . . . . 0.0 110.941 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 97.83 0.66 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.699 2.266 . . . . 0.0 112.321 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 mp -102.5 160.45 14.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.6 mt -83.67 154.99 23.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 54.62 64.42 1.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -130.1 -53.23 1.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.31 115.35 2.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.8 mm -73.43 133.15 80.77 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.601 0.715 . . . . 0.0 111.171 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -178.28 2.26 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.705 2.27 . . . . 0.0 112.349 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -99.68 129.34 45.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -101.43 -26.2 13.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 20.2 p -91.49 45.05 1.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.181 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.89 25.09 1.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -105.38 -175.29 2.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.1 t -168.65 -38.5 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.129 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.0 p -128.75 135.23 48.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.174 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 98.6 t -51.6 -30.43 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -62.65 -36.24 82.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.85 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.39 -49.88 13.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 12.5 t90 -52.87 -56.46 15.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 61.0 mt -55.73 -36.37 67.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.6 t -70.05 -18.33 63.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.47 -5.45 57.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.089 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.5 pt -124.86 10.9 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.165 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 67.6 12.45 8.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 57.9 mmm -104.81 22.52 15.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -58.17 -21.78 18.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.159 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -55.5 -25.45 37.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -100.94 27.43 6.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -72.88 -27.8 62.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.7 -27.33 22.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.92 -42.92 99.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -78.28 -40.99 35.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.1 mt -56.54 -61.09 2.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.6 t -60.09 -30.91 69.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.58 -20.2 65.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.105 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 114.0 -17.71 19.61 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.486 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -80.94 85.86 6.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.949 0.404 . . . . 0.0 110.916 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.2 p -92.56 -32.33 14.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.183 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.7 m -109.04 135.32 50.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -53.17 -28.68 27.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -52.74 -29.26 26.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 74.5 mt -89.74 -26.03 20.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 94.5 t -75.31 -35.7 34.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 45.9 p -56.53 -24.32 45.87 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -99.62 25.2 7.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 27.6 mmt -108.51 171.51 7.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.5 t -140.38 174.25 10.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.187 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.09 -31.84 32.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -66.01 -36.11 82.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -66.17 -28.35 68.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.5 mt -72.06 -38.02 69.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.57 -19.06 59.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.7 mtp85 -75.57 -39.27 58.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 35.5 pt -79.82 -27.18 12.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.57 -36.66 1.34 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.47 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 60.5 mt -52.63 102.49 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.902 0.382 . . . . 0.0 111.159 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 65.0 p -124.4 14.21 8.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -81.49 107.08 13.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.966 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.13 -32.4 55.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -79.22 -19.61 71.66 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.514 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 38.2 m170 -91.29 -46.42 8.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.744 0.307 . . . . 0.0 110.831 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -52.02 -40.33 60.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.97 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -53.17 -28.66 27.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -83.22 -53.04 6.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.894 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 77.1 mt -52.51 -60.07 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.088 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 40.2 mt -53.34 -41.64 65.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.12 -25.79 64.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.17 -41.53 10.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.828 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 81.2 mt -65.03 -43.81 95.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.121 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -57.4 -38.98 75.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 30.6 t -81.77 -30.53 32.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -65.12 -49.17 70.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.0 ptt180 -60.48 -43.48 96.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 96.6 t -62.43 -36.41 74.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.187 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -80.41 -73.57 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 37.9 pt -86.66 155.58 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.6 t -178.88 123.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.75 179.2 4.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.3 t 57.15 70.99 1.2 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.63 0.729 . . . . 0.0 110.863 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 117.58 5.17 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.725 2.283 . . . . 0.0 112.347 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.6 p -111.34 151.31 28.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.113 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -138.04 37.01 2.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.66 30.59 3.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -79.43 -50.74 10.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.054 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 57.3 m -65.59 100.16 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.01 166.49 18.51 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.504 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 94.5 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.677 2.251 . . . . 0.0 112.348 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.03 95.14 1.04 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.89 178.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.514 179.961 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.421 -0.272 . . . . 0.0 112.421 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.74 -48.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.351 . . . . 0.0 110.861 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 59.54 93.66 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.81 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.46 -70.93 0.87 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.45 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.3 p -172.44 142.23 1.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.91 0.386 . . . . 0.0 110.826 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -113.6 -170.87 1.78 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.83 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 57.71 176.25 0.49 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.5 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.2 t 62.54 -176.66 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.815 0.341 . . . . 0.0 110.872 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -120.42 70.61 16.9 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.63 0.729 . . . . 0.0 110.893 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 102.35 1.02 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.644 2.229 . . . . 0.0 112.336 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 mp -70.33 152.9 43.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.9 mt -120.38 92.16 3.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -167.42 -74.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -171.4 -47.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.6 t 55.11 85.15 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.832 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.6 mm -64.99 133.16 95.69 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.644 0.735 . . . . 0.0 111.13 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 -173.11 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.689 2.259 . . . . 0.0 112.362 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.3 130.31 46.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.905 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -97.23 22.96 7.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.4 p -118.3 32.39 6.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.092 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.01 25.41 9.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.072 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -111.48 168.12 9.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.4 t -153.42 -42.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.149 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.11 153.21 51.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.163 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 77.8 t -52.11 -48.08 42.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.113 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -52.22 -37.65 55.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.818 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.37 -50.61 13.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.826 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 13.4 t90 -53.52 -55.91 21.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 62.2 mt -55.64 -36.46 67.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.937 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.1 t -70.24 -18.29 63.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.25 -7.52 55.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.082 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.3 pt -122.65 11.15 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.166 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 67.36 12.58 8.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 66.6 mmm -104.65 22.57 14.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.01 -22.07 18.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.131 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -55.56 -25.42 37.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -100.54 27.29 5.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -72.37 -25.97 61.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.956 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.96 -27.99 20.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.29 -43.31 98.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -77.59 -40.89 40.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 22.7 mt -57.07 -56.59 19.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.919 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.6 t -65.46 -30.77 71.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.34 -20.25 65.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.076 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.19 -16.74 24.76 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.499 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -82.5 89.15 6.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.946 0.403 . . . . 0.0 110.883 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.0 p -102.01 -25.23 13.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.8 m -105.96 132.59 51.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.4 mt -56.83 -32.73 66.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.921 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -54.08 -27.84 35.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 71.1 mt -88.92 -26.02 21.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.957 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.9 t -74.88 -24.58 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.107 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 45.5 p -66.4 -23.91 66.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.185 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -99.52 22.34 10.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 13.4 mtm -106.14 162.38 13.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.4 t -133.15 174.52 10.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.14 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.04 -30.08 23.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.84 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -66.24 -37.13 84.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.0 -33.99 77.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.1 mt -67.73 -36.48 80.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.47 -19.0 58.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -76.21 -37.6 57.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 37.1 pt -81.02 -26.29 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.131 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.87 -36.84 1.39 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.485 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 58.4 mt -53.9 101.67 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.952 0.406 . . . . 0.0 111.164 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 61.3 p -123.16 15.22 9.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.155 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -81.51 108.17 14.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.939 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.92 -34.28 59.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.11 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -77.12 -23.82 67.82 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.51 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.2 m170 -85.76 -47.39 9.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.765 0.317 . . . . 0.0 110.853 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -52.52 -38.37 59.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -28.27 31.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -84.96 -52.78 5.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 76.9 mt -52.26 -59.42 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.148 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 52.9 mt -52.43 -44.9 65.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -55.7 -26.19 43.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.78 -48.05 7.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 62.3 mt -57.35 -36.32 52.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.144 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -69.55 -37.77 77.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.0 t -76.68 -29.04 56.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 4.7 mtm -69.65 -54.63 12.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -52.19 -36.14 51.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 92.3 t -69.05 -49.41 62.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -69.7 -73.26 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 49.6 pt -83.34 149.53 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.171 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 26.6 p -169.33 -43.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.29 169.63 1.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.6 m 60.36 68.82 1.29 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.686 0.755 . . . . 0.0 110.854 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -174.19 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.691 2.261 . . . . 0.0 112.334 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.1 t -57.42 -29.79 64.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.163 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 60.52 85.5 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.105 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 3.7 ptp -124.39 70.57 1.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 52.82 48.58 22.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.049 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.3 p -103.61 151.32 23.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -133.13 71.31 0.5 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.472 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 173.05 11.53 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.659 2.239 . . . . 0.0 112.337 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 t -72.08 -170.83 0.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.0 m -167.29 178.48 5.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 179.986 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 p -131.11 159.7 36.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.341 . . . . 0.0 110.89 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.17 175.22 5.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.41 -169.18 24.15 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.505 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 p -115.11 -174.56 2.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.877 0.37 . . . . 0.0 110.864 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -126.29 73.02 1.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.849 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.9 -166.58 32.66 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.498 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -140.07 163.33 33.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.806 0.336 . . . . 0.0 110.832 -179.726 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -129.9 71.0 82.27 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.664 0.745 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 167.78 23.48 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.703 2.269 . . . . 0.0 112.367 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -166.28 -176.52 3.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.94 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.4 mt -90.25 139.06 31.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.942 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -104.07 55.0 0.73 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.42 91.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.52 132.18 49.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.829 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 57.0 mt -77.62 133.13 67.26 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.64 0.733 . . . . 0.0 111.134 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -170.9 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.698 2.265 . . . . 0.0 112.356 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -100.68 131.96 46.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -104.54 -25.73 12.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 49.8 p -90.22 47.24 1.42 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.146 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -143.3 25.31 1.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.074 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -105.53 -175.05 2.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.912 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.8 t -167.78 -38.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.181 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.5 p -129.06 135.72 49.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.131 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.0 t -51.69 -30.08 11.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -62.65 -36.13 81.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.837 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -77.5 -49.7 14.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 12.6 t90 -53.0 -56.46 15.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 60.5 mt -55.73 -36.2 66.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.965 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.6 t -70.14 -18.14 63.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.31 -6.78 56.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.2 pt -123.55 11.08 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.084 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.9 mtmt 67.49 12.46 8.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 61.6 mmm -104.76 22.63 14.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.887 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.24 -21.62 17.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.4 pt20 -55.47 -25.7 38.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -100.97 27.54 5.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.956 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -72.63 -27.93 62.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -87.57 -27.42 22.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.72 -43.04 99.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.834 -179.764 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -78.15 -41.24 35.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.1 mt -56.24 -61.33 2.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.6 t -60.11 -30.9 69.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.26 -20.3 65.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.118 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.93 -17.36 20.1 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.454 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -81.3 87.01 6.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.89 0.376 . . . . 0.0 110.913 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 51.3 p -93.41 -32.74 14.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.165 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.5 m -108.04 134.65 50.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.828 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -52.78 -29.49 27.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -52.99 -28.93 26.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 93.4 mt -89.57 -25.88 21.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 95.4 t -76.42 -33.73 23.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.112 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 46.5 p -57.7 -23.76 53.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -99.88 24.93 7.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.942 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 37.7 mmt -106.67 173.67 6.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.4 t -143.98 174.37 10.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.109 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -51.98 -32.86 35.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -64.71 -40.01 94.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -63.32 -33.46 75.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 15.2 mt -66.88 -37.94 85.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.92 -18.93 59.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.8 -39.16 57.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 35.1 pt -79.59 -27.39 12.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.75 -36.32 1.34 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.482 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 59.1 mt -53.49 102.03 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.89 0.376 . . . . 0.0 111.159 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 40.3 p -123.64 14.0 9.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.123 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -81.4 107.11 13.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.14 -33.42 57.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -78.43 -19.23 74.44 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.489 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 38.6 m170 -91.42 -46.03 8.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.753 0.311 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -52.97 -38.93 62.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -54.4 -27.34 36.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -85.31 -51.01 6.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 80.3 mt -53.96 -61.37 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.127 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 29.3 mt -53.67 -40.61 66.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -58.24 -26.09 62.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.3 t -93.17 -39.42 11.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.905 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 78.0 mt -65.63 -44.29 93.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.16 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -58.03 -35.66 71.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 14.9 t -85.56 -26.44 26.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.828 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -70.48 -44.41 67.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -64.36 -40.84 96.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 95.7 t -63.5 -26.9 41.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -92.39 -71.39 0.65 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.958 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 9.6 pt -88.76 171.12 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.183 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.5 t 63.11 66.04 0.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -78.57 131.06 36.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.961 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.84 160.6 71.36 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.654 0.74 . . . . 0.0 110.885 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 136.51 33.07 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.66 2.24 . . . . 0.0 112.355 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.7 t -118.05 155.41 30.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -170.59 80.47 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.088 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -64.85 145.88 55.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -168.16 -50.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.67 154.47 31.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -168.93 -70.3 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.483 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 175.42 8.16 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.697 2.265 . . . . 0.0 112.337 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.0 m 58.92 59.1 2.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.95 -44.84 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.471 179.979 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 m -60.58 -72.4 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.877 0.37 . . . . 0.0 110.874 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t 62.21 67.52 0.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.38 -40.21 1.45 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.1 m 57.02 83.32 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 0.0 110.844 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -149.11 90.76 1.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.24 -105.74 1.91 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.516 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.2 t -167.58 -61.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.358 . . . . 0.0 110.886 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -116.73 71.07 5.05 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.614 0.721 . . . . 0.0 110.9 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 174.7 9.14 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.641 2.228 . . . . 0.0 112.358 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -156.03 143.35 19.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.916 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.8 pp -85.44 152.33 23.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -110.46 -65.52 1.15 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.5 mmt85 -148.41 116.46 6.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -159.46 135.74 9.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 65.3 mt -91.45 133.09 31.94 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.624 0.726 . . . . 0.0 111.116 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 -172.43 0.58 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.688 2.259 . . . . 0.0 112.33 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.97 112.14 25.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -78.06 -26.3 48.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.2 p -83.37 61.05 5.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.139 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -165.19 27.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.119 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -110.01 141.58 42.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.6 t -128.69 -42.17 1.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.191 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.4 p -124.1 137.1 54.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 98.0 t -52.07 -29.64 11.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.142 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -61.88 -34.56 76.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.45 -49.57 12.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 12.6 t90 -52.94 -56.5 15.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 58.1 mt -55.76 -36.57 67.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.4 t -69.66 -18.18 63.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.19 -7.33 55.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.096 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.0 pt -122.98 11.08 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.13 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt 67.45 12.49 8.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 60.7 mmm -104.85 22.79 14.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.13 -21.98 18.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.164 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -55.6 -25.36 38.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -100.78 27.56 5.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -72.85 -27.08 61.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.28 -27.63 21.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.88 -43.17 99.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -79.15 -44.18 22.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.834 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.3 mt -52.1 -63.14 1.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.6 t -56.69 -30.86 63.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.24 -19.96 64.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.26 -17.43 24.12 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.505 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -77.42 74.21 3.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.882 0.372 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.4 p -81.69 -34.51 30.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.104 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 38.0 m -106.68 140.32 39.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -59.65 -27.86 66.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -55.35 -26.29 40.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 74.5 mt -90.41 -26.04 20.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.3 t -80.89 -30.77 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 67.4 p -57.86 -24.2 56.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -105.33 30.29 5.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 34.5 mmt -110.14 -176.13 2.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.5 t -152.06 174.08 14.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.11 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.4 t -52.02 -30.15 24.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -61.38 -36.22 79.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -70.76 -32.56 69.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.0 mt -66.08 -40.98 91.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.33 -19.22 60.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -74.89 -42.09 58.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 33.2 pt -77.04 -30.21 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 148.82 -36.35 1.06 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.506 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 59.0 mt -51.74 103.05 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.924 0.392 . . . . 0.0 111.159 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 23.9 p -124.73 13.52 8.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -81.47 106.72 13.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.12 -32.5 55.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.082 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -79.32 -19.33 72.06 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.542 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.4 m170 -91.38 -45.65 8.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.775 0.322 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -53.11 -39.96 63.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.95 -27.84 33.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -84.61 -46.27 11.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 79.7 mt -57.85 -61.23 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.127 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.1 mt -52.49 -45.13 66.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 29.6 m-20 -56.08 -26.17 48.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.8 t -91.14 -44.39 9.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 80.7 mt -61.46 -44.97 99.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.082 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -57.13 -37.75 72.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.8 t -82.17 -26.44 33.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -67.52 -50.4 58.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -60.55 -42.84 97.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 97.9 t -62.2 -25.39 37.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -93.15 -74.44 0.53 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 23.5 pt -80.55 -177.82 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.149 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 29.9 t 54.15 90.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.817 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -57.71 127.31 31.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -168.9 160.5 8.15 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.675 0.75 . . . . 0.0 110.86 -179.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.7 104.24 1.28 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.664 2.243 . . . . 0.0 112.357 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -151.34 131.66 13.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -151.95 140.18 20.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.1 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.02 165.73 26.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -105.94 158.71 16.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 10.4 p -111.11 161.98 15.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.824 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 58.66 72.51 0.59 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.439 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 99.74 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.645 2.23 . . . . 0.0 112.323 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 11.6 m 54.82 74.02 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 m -62.8 117.88 6.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.463 -179.964 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.9 m 56.86 79.14 0.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.841 0.353 . . . . 0.0 110.865 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.0 120.99 35.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.84 -86.51 1.62 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.454 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 m 59.79 66.81 0.94 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.895 0.378 . . . . 0.0 110.864 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.1 p -143.24 170.48 15.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.82 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.39 176.51 44.63 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.475 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.3 t -110.34 167.45 10.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.796 0.331 . . . . 0.0 110.875 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.43 160.54 1.29 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.609 0.719 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 81.51 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.643 2.229 . . . . 0.0 112.349 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.8 mt -124.44 164.64 19.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.928 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 mp 59.97 83.32 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.57 -36.64 84.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 55.66 -175.3 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.17 34.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 60.8 mt -110.13 133.05 21.14 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.639 0.733 . . . . 0.0 111.114 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -171.72 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.683 2.255 . . . . 0.0 112.326 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -101.97 112.44 25.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -76.96 -26.33 53.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 35.7 p -93.09 42.63 1.1 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.16 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.1 25.33 4.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.166 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -112.5 -177.53 3.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.5 t -167.06 -41.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -133.09 153.62 51.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.0 t -51.89 -50.32 33.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -52.88 -32.42 44.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.73 -51.74 8.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.862 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 12.9 t90 -53.21 -55.26 25.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 79.5 mt -55.57 -36.89 67.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.8 t -69.82 -18.49 63.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.869 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.26 -5.59 57.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.074 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.3 pt -124.87 10.98 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.143 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt 67.57 12.38 8.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 59.0 mmm -104.65 22.6 14.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -58.37 -21.51 18.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -55.56 -25.47 38.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.958 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -99.99 27.25 5.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -71.85 -25.66 62.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -90.22 -27.85 19.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.81 -43.22 99.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.737 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -76.65 -43.92 36.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.9 mt -52.95 -61.53 2.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.6 t -60.6 -30.73 70.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.03 -20.3 65.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.98 -17.21 20.09 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.512 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -81.04 89.07 5.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.859 0.361 . . . . 0.0 110.859 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 67.4 p -96.91 -25.62 15.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 69.6 m -111.92 146.91 36.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 25.5 mt -67.3 -30.77 70.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.93 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -54.18 -28.24 39.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.7 mt -88.82 -26.4 21.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 89.9 t -80.68 -25.13 11.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.113 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.7 p -65.05 -24.96 67.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.16 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -103.04 26.22 8.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 34.4 mmt -100.4 -176.43 3.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.6 t -148.84 173.84 12.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.154 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.11 -30.08 24.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -63.36 -47.17 83.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -52.62 -33.24 45.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.5 mt -68.82 -43.33 75.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.63 -19.23 60.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -74.72 -40.61 61.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.854 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 34.5 pt -79.1 -27.4 13.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.72 -36.56 1.33 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.457 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 63.6 mt -51.64 103.24 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.926 0.393 . . . . 0.0 111.115 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 77.3 p -124.21 15.96 9.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -81.69 114.92 20.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.98 -31.52 69.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.103 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -80.94 -20.19 65.87 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.495 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -90.51 -44.01 9.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.773 0.32 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -55.26 -39.86 70.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.46 -26.08 40.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -85.36 -51.89 6.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 77.3 mt -52.94 -61.41 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 60.4 mt -52.13 -46.79 65.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.949 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -54.76 -27.05 38.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.99 -51.52 5.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 64.3 mt -52.41 -43.88 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.145 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -59.05 -36.23 74.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.6 m -81.23 -26.53 35.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -69.46 -55.68 9.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.1 ptt180 -52.13 -41.68 62.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 91.6 t -61.35 -49.71 83.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.136 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -70.37 -74.3 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.959 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 43.6 pt -83.94 149.77 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.095 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 29.3 p -166.35 36.51 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.1 178.21 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.893 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.2 m -107.86 160.59 26.24 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.678 0.751 . . . . 0.0 110.837 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 80.48 0.89 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.679 2.253 . . . . 0.0 112.327 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 16.4 p -127.12 162.8 25.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.194 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -135.44 155.33 50.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.097 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 12.2 mtt -134.81 178.67 6.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -118.68 26.06 9.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.072 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 26.2 t -130.66 102.54 6.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -137.53 71.01 0.47 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.503 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 130.69 19.77 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.659 2.239 . . . . 0.0 112.377 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 46.4 t -59.94 120.56 9.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.1 t 61.47 -177.57 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.516 179.961 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -151.92 91.11 1.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.891 0.377 . . . . 0.0 110.814 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.77 144.63 29.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.53 55.08 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.433 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -148.85 86.95 1.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.84 0.352 . . . . 0.0 110.838 -179.722 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.33 120.07 38.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.45 -168.16 17.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.489 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.6 t 56.74 58.9 3.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 110.813 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 55.2 mm-40 55.6 68.35 2.48 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.572 0.701 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 123.42 10.07 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.331 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 56.0 -173.62 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -89.98 105.27 17.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -94.17 -68.11 0.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.819 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -130.1 26.92 5.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 55.94 41.78 29.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.7 mm -87.75 133.16 38.35 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.629 0.728 . . . . 0.0 111.157 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 179.43 3.72 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.661 2.24 . . . . 0.0 112.329 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -91.91 112.73 24.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -84.09 -26.95 28.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.1 p -93.6 40.96 1.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.126 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.65 25.23 4.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.086 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -114.12 178.82 4.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.5 t -162.35 -42.4 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.128 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -133.1 156.61 47.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 46.5 t -53.86 -49.77 56.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.13 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -53.71 -30.87 45.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.97 -51.25 8.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.822 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 13.4 t90 -53.93 -55.02 30.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 76.6 mt -55.77 -36.63 67.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.0 t -70.13 -17.69 63.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.82 -7.75 53.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.8 pt -122.47 11.5 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.106 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 67.1 12.75 9.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.948 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 85.4 mmm -105.0 22.76 14.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.942 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.15 -21.95 18.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -55.48 -25.57 37.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -100.03 27.5 5.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.977 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.6 ptp85 -71.85 -25.94 62.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -88.46 -29.01 20.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.853 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.43 -43.93 97.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -76.91 -40.4 47.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.9 mt -57.92 -57.9 10.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.6 t -63.36 -30.74 71.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.157 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.88 -20.3 65.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.73 -16.94 20.91 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.522 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -81.31 87.1 6.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.914 0.388 . . . . 0.0 110.885 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 46.4 p -95.28 -25.3 16.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.144 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.6 m -112.11 137.46 50.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 22.0 mt -58.27 -28.71 65.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -54.22 -27.62 35.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.6 mt -90.72 -26.09 19.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 96.1 t -75.47 -29.34 20.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.092 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.2 p -61.77 -24.81 67.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -101.12 25.62 7.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 38.7 mmt -104.81 166.73 10.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.821 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.6 t -136.36 173.84 11.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.19 -39.06 59.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -58.94 -41.15 86.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -59.72 -34.37 72.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.824 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.0 mt -67.6 -34.89 77.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.951 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.09 -18.57 57.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.7 mtm180 -77.32 -37.24 52.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 36.7 pt -80.58 -27.14 11.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.8 -36.43 1.33 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.538 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 53.5 mt -55.12 100.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 0.0 111.138 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 68.3 p -121.55 13.98 10.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.172 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -81.21 126.57 31.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.24 -32.15 69.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.082 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -79.44 -20.19 69.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.445 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 47.0 m170 -89.98 -45.74 8.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.777 0.322 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -54.05 -38.32 65.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -56.27 -25.86 49.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -85.59 -52.25 5.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 79.5 mt -53.77 -60.96 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.142 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 47.4 mt -53.2 -41.66 65.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -58.73 -26.18 63.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.62 -48.72 6.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 78.3 mt -55.1 -46.46 77.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -56.32 -36.15 68.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.818 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.6 m -81.86 -26.44 34.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.838 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -69.79 -55.47 9.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.888 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 -52.12 -41.85 62.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 92.8 t -60.56 -44.46 96.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -75.94 -74.39 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 40.7 pt -82.89 148.98 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.091 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 t -175.89 132.02 0.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.68 113.29 22.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.62 160.57 1.36 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.627 0.727 . . . . 0.0 110.877 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -37.54 8.99 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.726 2.284 . . . . 0.0 112.339 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -71.59 145.65 48.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -128.01 92.9 3.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.081 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -70.87 -63.06 1.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 59.01 25.87 14.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.3 m 57.96 62.85 1.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -77.55 -74.37 1.0 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.469 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 93.97 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.689 2.259 . . . . 0.0 112.301 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.7 m -100.68 -51.15 3.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.9 m -145.32 119.81 9.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.832 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.525 179.997 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.432 HG21 ' O ' ' A' ' 46' ' ' PHE . 22.8 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.842 0.353 . . . . 0.0 111.15 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.402 ' OD1' HD11 ' A' ' 42' ' ' LEU . 8.9 m-20 -54.3 -38.23 65.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.32 -50.97 12.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.512 ' CB ' HD21 ' A' ' 49' ' ' LEU . 13.1 t90 -53.39 -55.61 23.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.569 HD12 ' HA ' ' A' ' 38' ' ' ARG . 73.1 mt -55.68 -36.82 67.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.8 t -69.8 -18.3 63.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.34 -6.79 56.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.136 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.496 HD11 HD23 ' A' ' 29' ' ' LEU . 11.1 pt -123.43 11.25 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt 67.19 12.66 9.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 87.0 mmm -105.05 22.79 14.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.412 HG22 ' HE ' ' A' ' 38' ' ' ARG . 0.5 OUTLIER -58.25 -21.64 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.158 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -55.52 -25.46 37.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.926 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -100.24 27.47 5.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.569 ' HA ' HD12 ' A' ' 29' ' ' LEU . 6.6 ptp180 -72.23 -25.75 61.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.86 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.579 ' O ' HG22 ' A' ' 43' ' ' THR . 1.9 m-20 -90.43 -27.53 19.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.744 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -62.82 -43.15 99.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.815 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.549 ' HD2' HD11 ' A' ' 29' ' ' LEU . 55.1 m-85 -77.37 -41.89 38.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.895 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.421 HD23 HG22 ' A' ' 47' ' ' THR . 19.2 mt -55.43 -60.5 3.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.579 HG22 ' O ' ' A' ' 39' ' ' ASP . 13.9 t -61.76 -30.44 70.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.88 -20.39 65.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.08 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.8 -17.04 20.67 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.516 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.432 ' O ' HG21 ' A' ' 25' ' ' VAL . 27.6 m-85 -83.14 88.33 6.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.37 . . . . 0.0 110.907 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.421 HG22 HD23 ' A' ' 42' ' ' LEU . 61.7 p -95.55 -25.02 16.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.176 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.2 m -114.03 137.88 51.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.512 HD21 ' CB ' ' A' ' 28' ' ' TRP . 20.2 mt -58.08 -28.75 64.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.927 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -54.29 -28.22 40.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 85.3 mt -89.41 -28.8 19.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.939 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 91.2 t -76.83 -25.92 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.171 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.642 HG22 ' HB3' ' A' ' 81' ' ' MET . 28.9 p -63.94 -25.2 68.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.114 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -102.7 26.32 8.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 35.7 mmt -103.0 -176.67 3.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.59 HG23 ' H ' ' A' ' 58' ' ' GLU . 14.6 t -150.0 173.77 13.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.165 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.653 ' HB3' HD11 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -52.08 -32.71 36.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.83 -179.859 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.59 ' H ' HG23 ' A' ' 56' ' ' THR . 36.5 mt-10 -61.11 -45.53 94.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -56.06 -33.03 64.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.4 mt -64.65 -42.35 95.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.572 HD23 HG22 ' A' ' 66' ' ' THR . 0.2 OUTLIER -74.74 -18.94 60.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.6 mtp85 -75.6 -39.27 58.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.873 HD11 HD12 ' A' ' 65' ' ' ILE . 37.7 pt -80.3 -27.57 11.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.091 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.585 ' O ' HG23 ' A' ' 66' ' ' THR . . . 146.32 -37.03 1.25 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.473 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.873 HD12 HD11 ' A' ' 63' ' ' ILE . 61.4 mt -51.57 103.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.894 0.378 . . . . 0.0 111.12 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 64' ' ' GLY . 71.4 p -124.08 25.11 7.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.615 HD22 ' CE1' ' A' ' 70' ' ' HIS . 0.2 OUTLIER -99.76 107.92 20.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.913 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.5 -34.25 61.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.084 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -75.26 -19.6 79.52 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.546 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.615 ' CE1' HD22 ' A' ' 67' ' ' LEU . 36.4 m170 -93.2 -42.19 9.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.756 0.313 . . . . 0.0 110.858 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -61.21 -27.23 68.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -27.37 68.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.0 tttp -86.24 -47.4 9.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.44 HG23 ' HH2' ' A' ' 28' ' ' TRP . 73.1 mt -56.11 -61.03 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.653 HD11 ' HB3' ' A' ' 57' ' ' SER . 29.9 mt -52.87 -40.24 63.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.67 -28.63 67.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.1 t -88.51 -50.66 6.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.888 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 69.2 mt -51.87 -47.69 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.087 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -54.41 -45.3 72.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.825 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.63 -27.12 61.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.642 ' HB3' HG22 ' A' ' 53' ' ' THR . 1.3 mtm -68.18 -57.91 5.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.857 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 89.1 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.799 0.333 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -58.67 -34.67 71.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.51 -48.22 14.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.412 ' CH2' HG23 ' A' ' 74' ' ' ILE . 10.7 t90 -53.6 -56.87 13.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.593 HD11 ' CD2' ' A' ' 41' ' ' PHE . 92.3 mt -55.92 -35.56 66.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.2 t -69.66 -18.24 63.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.823 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.9 -7.5 55.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.071 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.588 HD11 HD23 ' A' ' 29' ' ' LEU . 10.6 pt -122.59 10.9 5.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.111 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.6 mttt 67.36 12.56 8.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 86.5 mmm -105.27 23.49 13.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.478 HG22 ' HE ' ' A' ' 38' ' ' ARG . 0.5 OUTLIER -58.88 -20.85 17.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.139 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -55.51 -25.37 36.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -100.72 27.6 5.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.957 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.505 ' HA ' HD12 ' A' ' 29' ' ' LEU . 7.6 ptp180 -72.91 -25.97 61.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.672 ' O ' HG22 ' A' ' 43' ' ' THR . 2.1 m-20 -87.9 -30.41 20.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.65 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.7 OUTLIER -58.19 -45.44 87.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.777 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.593 ' CD2' HD11 ' A' ' 29' ' ' LEU . 66.3 m-85 -73.35 -45.42 55.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 25.5 mt -52.38 -64.04 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.672 HG22 ' O ' ' A' ' 39' ' ' ASP . 10.0 t -55.75 -33.81 64.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.451 ' CB ' HG22 ' A' ' 63' ' ' ILE . . . -67.45 -19.94 65.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.093 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.82 -17.22 22.94 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -81.48 86.15 6.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.934 0.397 . . . . 0.0 110.883 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 75.7 p -88.53 -34.42 17.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.151 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 44.4 m -105.3 161.54 14.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.706 ' O ' HG23 ' A' ' 53' ' ' THR . 4.3 mm? -75.56 -31.21 59.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -53.79 -28.1 33.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.3 mt -88.4 -25.91 22.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.2 t -80.65 -30.26 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.086 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.706 HG23 ' O ' ' A' ' 49' ' ' LEU . 50.7 p -60.21 -24.46 64.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.193 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -101.32 26.03 7.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 33.8 mmt -106.38 -175.75 2.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.558 HG23 ' H ' ' A' ' 58' ' ' GLU . 14.5 t -151.76 174.1 13.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.154 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.704 ' HB3' HD11 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -51.99 -34.35 42.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.839 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.558 ' H ' HG23 ' A' ' 56' ' ' THR . 45.1 mt-10 -60.22 -47.51 85.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.921 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -55.41 -34.99 64.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 15.2 mt -61.2 -40.5 94.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.03 -19.25 60.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -75.49 -39.29 58.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.874 HD11 HD12 ' A' ' 65' ' ' ILE . 37.5 pt -80.0 -28.06 12.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.67 ' O ' HG23 ' A' ' 66' ' ' THR . . . 146.87 -37.01 1.2 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.486 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.874 HD12 HD11 ' A' ' 63' ' ' ILE . 61.0 mt -51.77 103.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.915 0.388 . . . . 0.0 111.088 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.67 HG23 ' O ' ' A' ' 64' ' ' GLY . 63.8 p -125.87 38.47 4.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.133 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.602 HD22 ' CE1' ' A' ' 70' ' ' HIS . 0.2 OUTLIER -113.93 106.99 15.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.9 -34.34 59.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.119 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -74.41 -20.57 79.56 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.465 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.602 ' CE1' HD22 ' A' ' 67' ' ' LEU . 37.4 m170 -92.51 -49.85 5.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.773 0.321 . . . . 0.0 110.843 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -52.88 -30.53 34.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -33.13 69.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.0 tttp -83.05 -40.9 19.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.57 HG22 ' CD1' ' A' ' 78' ' ' ILE . 80.2 mt -61.87 -60.74 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.704 HD11 ' HB3' ' A' ' 57' ' ' SER . 33.0 mt -52.71 -42.63 65.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.935 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -55.61 -26.2 42.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.31 -43.58 8.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.57 ' CD1' HG22 ' A' ' 74' ' ' ILE . 77.2 mt -58.6 -40.67 79.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.143 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -64.94 -45.34 86.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 14.8 t -70.66 -26.67 63.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.849 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.561 ' CE ' HD12 ' A' ' 49' ' ' LEU . 1.2 mtm -68.38 -58.93 3.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.839 -179.925 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.495 HG21 ' O ' ' A' ' 46' ' ' PHE . 58.9 t . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.793 0.33 . . . . 0.0 111.069 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -52.56 -34.49 50.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -76.99 -50.65 12.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.605 ' CZ3' HG11 ' A' ' 52' ' ' VAL . 13.1 t90 -55.47 -56.8 15.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.579 HD12 ' HA ' ' A' ' 38' ' ' ARG . 71.3 mt -55.6 -37.14 67.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.913 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.9 t -69.7 -18.23 63.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.39 -6.43 56.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.123 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.485 HD11 HD23 ' A' ' 29' ' ' LEU . 11.2 pt -124.01 11.38 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.1 mtmt 67.11 12.66 9.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.962 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 87.5 mmm -105.14 22.84 14.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.823 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.17 -21.86 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.148 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 28.2 pt20 -55.46 -25.48 36.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -100.03 27.51 5.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.579 ' HA ' HD12 ' A' ' 29' ' ' LEU . 3.8 ptp85 -71.79 -26.2 62.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.655 ' O ' HG22 ' A' ' 43' ' ' THR . 1.0 OUTLIER -90.88 -27.48 18.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.62 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -61.7 -43.31 99.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.79 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.556 ' HD2' HD11 ' A' ' 29' ' ' LEU . 59.1 m-85 -77.23 -41.65 40.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 26.9 mt -54.99 -60.05 3.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.655 HG22 ' O ' ' A' ' 39' ' ' ASP . 11.7 t -60.46 -33.21 72.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.182 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.448 ' CB ' HG22 ' A' ' 63' ' ' ILE . . . -64.54 -21.28 66.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.081 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 107.44 16.46 13.13 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.452 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.495 ' O ' HG21 ' A' ' 25' ' ' VAL . 27.6 m-85 -113.66 87.42 2.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.993 0.425 . . . . 0.0 110.846 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.9 p -97.6 -25.24 15.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.101 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.9 m -107.99 138.57 44.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.858 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.9 mt -59.78 -31.03 69.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -52.96 -30.43 34.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.957 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.6 mt -87.38 -26.26 23.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.605 HG11 ' CZ3' ' A' ' 28' ' ' TRP . 99.6 t -78.29 -23.02 13.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.163 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.528 HG22 ' HB3' ' A' ' 81' ' ' MET . 34.1 p -67.0 -21.25 65.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -105.5 25.66 10.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 26.2 mtp -96.09 162.57 13.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.456 HG23 ' H ' ' A' ' 58' ' ' GLU . 14.7 t -136.54 173.47 11.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.069 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.487 ' HA ' HD21 ' A' ' 75' ' ' LEU . 0.7 OUTLIER -52.37 -36.59 54.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.895 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.456 ' H ' HG23 ' A' ' 56' ' ' THR . 27.5 mt-10 -68.04 -32.05 72.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -68.17 -26.09 65.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.1 mt -74.65 -37.78 62.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.556 HD23 HG22 ' A' ' 66' ' ' THR . 0.2 OUTLIER -75.06 -18.93 60.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -75.72 -38.06 58.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.831 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.859 HD11 HD12 ' A' ' 65' ' ' ILE . 37.9 pt -81.65 -25.66 9.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.465 ' O ' HG23 ' A' ' 66' ' ' THR . . . 144.16 -37.16 1.43 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.475 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.859 HD12 HD11 ' A' ' 63' ' ' ILE . 64.6 mt -51.66 103.2 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.926 0.394 . . . . 0.0 111.102 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.556 HG22 HD23 ' A' ' 61' ' ' LEU . 45.3 p -124.67 33.9 5.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.103 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.92 106.16 15.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.2 -33.75 63.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -74.85 -19.6 79.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.517 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 34.1 m170 -93.8 -48.7 6.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.803 0.335 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -52.43 -30.5 29.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.68 -35.14 68.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -81.17 -38.66 26.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.431 HD13 HD13 ' A' ' 65' ' ' ILE . 66.6 mt -64.5 -62.66 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.134 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.487 HD21 ' HA ' ' A' ' 57' ' ' SER . 9.9 mt -52.81 -40.75 63.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 -57.69 -27.94 63.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.9 t -89.79 -40.0 12.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.431 ' CD1' HG22 ' A' ' 74' ' ' ILE . 75.8 mt -61.2 -46.14 97.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -60.97 -35.47 76.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.7 m -79.95 -26.45 40.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.528 ' HB3' HG22 ' A' ' 53' ' ' THR . 1.4 mtm -70.66 -55.34 8.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.445 HG21 ' O ' ' A' ' 46' ' ' PHE . 96.5 t . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.831 0.348 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -60.95 -35.35 76.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -76.65 -50.79 12.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.439 ' CE3' HD11 ' A' ' 49' ' ' LEU . 12.7 t90 -52.86 -56.08 18.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.922 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.604 HD12 ' HA ' ' A' ' 38' ' ' ARG . 64.8 mt -55.7 -36.59 67.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.8 t -69.87 -18.36 63.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.32 -6.16 56.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.08 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.5 HD11 HD23 ' A' ' 29' ' ' LEU . 10.9 pt -124.19 11.17 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.156 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.0 mttt 67.37 12.52 8.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 84.8 mmm -104.97 22.62 14.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -57.8 -22.13 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.101 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -55.44 -25.41 36.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -100.31 27.61 5.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.604 ' HA ' HD12 ' A' ' 29' ' ' LEU . 3.4 ptp85 -72.15 -26.51 62.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.634 ' O ' HG22 ' A' ' 43' ' ' THR . 0.5 OUTLIER -87.97 -30.5 19.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.596 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.7 OUTLIER -58.58 -45.42 89.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.83 -179.764 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.478 ' HD2' HD11 ' A' ' 29' ' ' LEU . 64.9 m-85 -77.39 -42.65 35.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.8 mt -54.37 -62.8 1.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.634 HG22 ' O ' ' A' ' 39' ' ' ASP . 14.7 t -57.46 -30.95 65.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.51 -19.95 64.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 111.61 -17.39 25.71 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.503 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.445 ' O ' HG21 ' A' ' 25' ' ' VAL . 25.6 m-85 -78.4 77.56 4.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.922 0.391 . . . . 0.0 110.912 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 58.1 p -84.71 -32.0 23.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 m -107.82 134.89 50.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.496 HD12 ' CE ' ' A' ' 81' ' ' MET . 4.3 mm? -52.75 -29.37 26.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.932 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -53.05 -28.92 26.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.9 mt -89.15 -26.1 21.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.419 HG11 ' CZ3' ' A' ' 28' ' ' TRP . 93.4 t -77.94 -30.29 16.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.611 HG22 ' HB3' ' A' ' 81' ' ' MET . 32.4 p -60.82 -24.36 65.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -101.21 25.7 7.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 39.0 mmt -105.47 -178.03 3.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.486 HG23 ' H ' ' A' ' 58' ' ' GLU . 14.5 t -152.26 174.49 13.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.127 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.702 ' N ' HD21 ' A' ' 75' ' ' LEU . 0.2 OUTLIER -52.09 -37.08 52.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.837 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.486 ' H ' HG23 ' A' ' 56' ' ' THR . 58.0 mt-10 -61.35 -42.13 98.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.886 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -61.64 -29.06 69.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.5 mt -67.61 -36.86 81.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.01 -18.95 59.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -76.48 -38.1 55.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.903 HD11 HD12 ' A' ' 65' ' ' ILE . 37.0 pt -80.44 -27.76 11.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.094 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.649 ' O ' HG23 ' A' ' 66' ' ' THR . . . 146.46 -36.8 1.25 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.464 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.903 HD12 HD11 ' A' ' 63' ' ' ILE . 59.3 mt -52.94 102.26 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.93 0.395 . . . . 0.0 111.124 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.649 HG23 ' O ' ' A' ' 64' ' ' GLY . 59.4 p -123.22 39.0 4.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.124 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.24 111.42 20.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.947 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.22 -30.39 69.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -79.68 -20.31 68.85 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.49 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 34.7 m170 -93.94 -37.98 11.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.723 0.297 . . . . 0.0 110.847 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -61.49 -32.57 72.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.05 -38.19 64.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -74.78 -45.85 40.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.534 HG22 ' CD1' ' A' ' 78' ' ' ILE . 75.6 mt -57.67 -62.33 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.702 HD21 ' N ' ' A' ' 57' ' ' SER . 12.1 mt -53.44 -39.82 64.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -58.45 -26.31 63.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.56 -40.73 10.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.858 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.534 ' CD1' HG22 ' A' ' 74' ' ' ILE . 79.2 mt -63.43 -45.08 98.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -56.9 -39.16 73.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.57 -26.45 34.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.611 ' HB3' HG22 ' A' ' 53' ' ' THR . 0.5 OUTLIER -68.92 -47.98 64.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.861 179.906 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 98.9 t . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.845 0.355 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.617 ' OD2' HD11 ' A' ' 42' ' ' LEU . 1.1 m-20 -62.84 -36.38 83.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.46 -49.29 13.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.454 ' CE3' HD11 ' A' ' 49' ' ' LEU . 11.8 t90 -52.72 -56.68 13.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.631 HD12 ' HA ' ' A' ' 38' ' ' ARG . 59.4 mt -55.79 -36.73 67.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.0 t -69.29 -17.89 63.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.14 -8.25 54.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.144 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.498 HD11 HD23 ' A' ' 29' ' ' LEU . 10.3 pt -121.98 11.22 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.203 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt 67.13 12.76 9.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.937 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 86.9 mmm -105.39 23.3 13.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.56 -21.34 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.134 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -55.46 -25.62 37.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -101.03 27.69 5.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.631 ' HA ' HD12 ' A' ' 29' ' ' LEU . 3.5 ptp85 -71.59 -26.04 62.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.624 ' O ' HG22 ' A' ' 43' ' ' THR . 1.1 m-20 -87.42 -32.39 19.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.588 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.2 OUTLIER -56.44 -46.73 80.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 -179.774 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.481 ' HD2' HD11 ' A' ' 29' ' ' LEU . 66.0 m-85 -75.23 -42.42 55.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.617 HD11 ' OD2' ' A' ' 26' ' ' ASP . 19.5 mt -55.74 -62.87 1.4 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.624 HG22 ' O ' ' A' ' 39' ' ' ASP . 14.8 t -57.74 -31.04 66.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.158 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.83 -20.04 65.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.107 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.88 -17.49 22.6 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.495 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -80.4 85.55 5.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.957 0.408 . . . . 0.0 110.887 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 44.8 p -92.67 -26.71 17.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.6 m -113.05 134.23 54.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.525 HD12 ' CE ' ' A' ' 81' ' ' MET . 4.3 mm? -53.31 -28.79 30.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.39 -29.76 25.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 81.1 mt -90.08 -25.93 20.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.955 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 92.6 t -77.11 -27.63 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.122 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.52 HG23 ' O ' ' A' ' 49' ' ' LEU . 70.4 p -63.17 -24.82 68.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -101.71 25.76 8.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 35.6 mmt -102.88 -176.18 3.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.5 t -153.2 174.26 14.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.147 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.636 ' HA ' HD21 ' A' ' 75' ' ' LEU . 0.4 OUTLIER -52.0 -42.45 62.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.883 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -57.16 -46.43 82.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -55.18 -28.55 53.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.6 mt -68.49 -37.47 80.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.464 ' HG ' HG22 ' A' ' 66' ' ' THR . 0.1 OUTLIER -75.54 -19.01 59.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.888 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.3 mtp85 -75.92 -38.82 57.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.888 HD11 HD12 ' A' ' 65' ' ' ILE . 36.9 pt -80.15 -27.56 12.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.527 ' O ' HG23 ' A' ' 66' ' ' THR . . . 146.12 -36.83 1.28 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.529 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.888 HD12 HD11 ' A' ' 63' ' ' ILE . 61.3 mt -52.22 102.78 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.914 0.387 . . . . 0.0 111.135 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.527 HG23 ' O ' ' A' ' 64' ' ' GLY . 73.8 p -124.21 38.53 4.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.175 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.13 104.96 11.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.25 -34.6 61.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.058 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -72.61 -20.77 79.72 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -94.17 -41.63 9.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.737 0.303 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -59.52 -29.71 68.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.961 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.28 -32.06 66.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.9 tttt -83.49 -45.16 13.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.447 HG22 ' CD1' ' A' ' 78' ' ' ILE . 78.8 mt -57.75 -60.45 2.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.185 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.636 HD21 ' HA ' ' A' ' 57' ' ' SER . 37.0 mt -52.77 -41.96 64.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -55.53 -26.35 42.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.5 t -94.09 -49.65 5.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.847 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.447 ' CD1' HG22 ' A' ' 74' ' ' ILE . 62.2 mt -53.06 -34.42 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -71.5 -47.67 53.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.7 m -67.21 -26.26 66.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.525 ' CE ' HD12 ' A' ' 49' ' ' LEU . 1.4 mtm -68.28 -57.95 5.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.857 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.855 -179.908 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.519 HG21 ' O ' ' A' ' 46' ' ' PHE . 98.4 t . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.756 0.312 . . . . 0.0 111.115 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -61.29 -34.86 75.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.01 -50.19 12.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.445 ' CE3' HD11 ' A' ' 49' ' ' LEU . 12.6 t90 -52.92 -56.43 15.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.613 HD12 ' HA ' ' A' ' 38' ' ' ARG . 62.1 mt -55.62 -36.48 67.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.944 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.8 t -69.95 -18.41 63.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.44 -5.44 57.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.128 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.512 HD11 HD23 ' A' ' 29' ' ' LEU . 10.5 pt -124.82 11.04 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.146 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt 67.54 12.44 8.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 81.0 mmm -104.92 22.68 14.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.414 HG22 ' HE ' ' A' ' 38' ' ' ARG . 0.6 OUTLIER -58.16 -21.93 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -55.55 -25.3 37.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -100.77 27.52 5.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.613 ' HA ' HD12 ' A' ' 29' ' ' LEU . 7.8 ptp180 -72.6 -26.85 61.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.638 ' O ' HG22 ' A' ' 43' ' ' THR . 1.0 OUTLIER -90.33 -26.46 19.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.796 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -63.25 -42.52 99.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.786 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.518 ' HD2' HD11 ' A' ' 29' ' ' LEU . 56.8 m-85 -78.52 -43.55 26.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.475 HD12 ' O ' ' A' ' 38' ' ' ARG . 13.7 mt -52.01 -60.91 2.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.638 HG22 ' O ' ' A' ' 39' ' ' ASP . 12.6 t -60.2 -32.85 71.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.66 -21.3 66.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.063 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 108.48 17.09 10.94 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.474 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.519 ' O ' HG21 ' A' ' 25' ' ' VAL . 28.0 m-85 -113.87 73.6 0.83 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.952 0.406 . . . . 0.0 110.879 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 48.3 p -78.51 -32.71 48.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.155 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.5 m -110.1 147.19 34.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.828 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.546 HD12 ' CE ' ' A' ' 81' ' ' MET . 4.3 mm? -63.43 -27.61 69.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.38 -27.39 36.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 66.1 mt -89.75 -25.87 20.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.5 t -80.98 -28.38 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.103 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.557 HG22 ' HB3' ' A' ' 81' ' ' MET . 38.3 p -62.12 -24.8 67.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.169 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -101.29 25.71 7.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 36.5 mmt -104.45 -175.98 2.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.664 HG23 ' H ' ' A' ' 58' ' ' GLU . 14.5 t -151.21 174.01 13.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.158 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.733 ' HB3' HD11 ' A' ' 75' ' ' LEU . 0.4 OUTLIER -52.02 -30.17 24.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.867 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.664 ' H ' HG23 ' A' ' 56' ' ' THR . 6.5 mt-10 -64.35 -41.45 96.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.859 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -59.88 -36.92 77.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.853 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 19.7 mt -63.95 -41.89 97.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.845 HD23 HG22 ' A' ' 66' ' ' THR . 0.4 OUTLIER -75.38 -19.42 59.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.898 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -74.87 -40.23 61.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.886 HD11 HD12 ' A' ' 65' ' ' ILE . 34.4 pt -78.91 -28.21 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.549 ' O ' HG23 ' A' ' 66' ' ' THR . . . 146.64 -36.58 1.24 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.537 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.886 HD12 HD11 ' A' ' 63' ' ' ILE . 60.0 mt -52.35 102.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.912 0.387 . . . . 0.0 111.137 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.845 HG22 HD23 ' A' ' 61' ' ' LEU . 76.4 p -123.78 13.97 9.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -81.63 111.49 17.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.22 -40.95 68.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.082 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -71.7 -19.99 78.32 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.501 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.3 m170 -87.39 -48.64 7.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.756 0.312 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -53.8 -35.06 60.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -25.88 64.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -88.98 -47.07 8.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.506 HG22 ' CD1' ' A' ' 78' ' ' ILE . 75.6 mt -60.69 -59.86 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.073 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.733 HD11 ' HB3' ' A' ' 57' ' ' SER . 58.8 mt -53.02 -41.96 65.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.942 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -58.96 -26.69 64.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.96 -41.76 10.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.886 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.506 ' CD1' HG22 ' A' ' 74' ' ' ILE . 80.8 mt -64.62 -43.9 96.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.129 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -60.29 -39.25 86.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.832 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.6 m -79.91 -26.57 40.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.557 ' HB3' HG22 ' A' ' 53' ' ' THR . 0.5 OUTLIER -68.11 -56.0 10.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.929 179.917 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.945 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.1 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.804 0.335 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -62.42 -35.96 80.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.61 -49.33 13.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.557 ' CZ3' HG11 ' A' ' 52' ' ' VAL . 11.8 t90 -52.37 -57.03 11.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.621 HD12 ' HA ' ' A' ' 38' ' ' ARG . 60.2 mt -55.79 -36.52 67.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.957 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.0 t -69.38 -18.13 63.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.92 -8.09 54.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.102 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.507 HD11 HD23 ' A' ' 29' ' ' LEU . 10.3 pt -122.19 11.23 5.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.9 mttt 67.14 12.71 9.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 88.0 mmm -105.32 23.27 13.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.9 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.464 HG22 ' HE ' ' A' ' 38' ' ' ARG . 0.5 OUTLIER -58.51 -21.7 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -55.42 -25.49 36.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -100.95 27.79 5.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.621 ' HA ' HD12 ' A' ' 29' ' ' LEU . 7.7 ptp180 -73.05 -27.35 61.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.666 ' O ' HG22 ' A' ' 43' ' ' THR . 0.6 OUTLIER -88.86 -27.66 20.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.627 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -61.21 -40.83 95.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.803 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.567 ' HD2' HD11 ' A' ' 29' ' ' LEU . 62.1 m-85 -78.78 -43.53 25.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 34.6 mt -53.08 -60.42 3.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.666 HG22 ' O ' ' A' ' 39' ' ' ASP . 9.8 t -56.64 -35.31 68.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.9 -20.08 65.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.091 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.04 -16.9 22.61 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.518 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -77.32 89.36 3.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.924 0.392 . . . . 0.0 110.868 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 63.8 p -99.46 -24.91 14.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.154 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.7 m -115.17 133.42 56.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.616 HD12 ' CE ' ' A' ' 81' ' ' MET . 4.3 mm? -53.05 -28.85 26.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.929 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.12 -29.88 23.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 75.4 mt -91.09 -25.64 19.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.557 HG11 ' CZ3' ' A' ' 28' ' ' TRP . 96.0 t -75.68 -24.04 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.151 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.695 HG22 ' HB3' ' A' ' 81' ' ' MET . 51.7 p -69.19 -22.41 63.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -100.7 20.8 14.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.552 ' HE3' HG13 ' A' ' 52' ' ' VAL . 8.2 mtm -100.05 177.55 5.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.463 HG23 ' H ' ' A' ' 58' ' ' GLU . 14.0 t -149.86 175.22 11.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.106 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.711 ' HA ' HD21 ' A' ' 75' ' ' LEU . 4.1 t -51.91 -38.73 57.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.463 ' H ' HG23 ' A' ' 56' ' ' THR . 37.7 mt-10 -60.49 -32.91 71.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.873 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -70.86 -29.28 65.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.5 mt -68.63 -40.07 80.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.474 HD23 HG22 ' A' ' 66' ' ' THR . 0.2 OUTLIER -75.17 -19.14 60.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.924 179.907 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -75.52 -38.21 59.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.873 HD11 HD12 ' A' ' 65' ' ' ILE . 37.9 pt -81.42 -26.19 10.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.571 ' O ' HG23 ' A' ' 66' ' ' THR . . . 144.84 -37.22 1.36 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.413 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.873 HD12 HD11 ' A' ' 63' ' ' ILE . 63.5 mt -51.65 103.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.903 0.383 . . . . 0.0 111.136 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.571 HG23 ' O ' ' A' ' 64' ' ' GLY . 72.8 p -124.69 27.55 6.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.138 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.33 105.47 16.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.93 -34.62 60.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -74.96 -19.61 79.85 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.463 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 36.5 m170 -92.75 -48.37 6.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.805 0.336 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -51.97 -34.29 41.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -52.64 -33.24 45.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -81.26 -52.74 7.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.44 HD13 HD13 ' A' ' 65' ' ' ILE . 51.5 mt -54.84 -58.98 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.711 HD21 ' HA ' ' A' ' 57' ' ' SER . 22.0 mt -53.07 -42.86 66.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -59.16 -26.08 64.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.25 -41.21 12.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 61.6 mt -65.96 -39.48 84.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.129 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -64.96 -32.41 74.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.9 t -86.87 -26.48 23.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.695 ' HB3' HG22 ' A' ' 53' ' ' THR . 0.6 OUTLIER -70.39 -42.88 71.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.441 HG21 ' O ' ' A' ' 46' ' ' PHE . 78.2 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.825 0.345 . . . . 0.0 111.098 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.554 ' OD1' HD11 ' A' ' 42' ' ' LEU . 5.8 m-20 -52.17 -38.09 56.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.29 -50.46 14.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.579 ' CB ' HD21 ' A' ' 49' ' ' LEU . 13.4 t90 -53.49 -55.99 20.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.608 HD12 ' HA ' ' A' ' 38' ' ' ARG . 61.0 mt -55.72 -36.59 67.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.3 t -70.22 -17.69 63.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.06 -7.05 54.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.101 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.506 HD11 HD23 ' A' ' 29' ' ' LEU . 11.4 pt -123.14 11.51 5.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.106 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt 67.03 12.85 9.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 87.8 mmm -105.15 22.63 15.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.87 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.42 HG22 ' HE ' ' A' ' 38' ' ' ARG . 0.5 OUTLIER -57.99 -22.11 18.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.169 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -55.6 -25.43 38.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -100.54 27.44 5.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.942 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.608 ' HA ' HD12 ' A' ' 29' ' ' LEU . 7.9 ptp180 -72.58 -25.99 61.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.601 ' O ' HG22 ' A' ' 43' ' ' THR . 2.3 m-20 -88.8 -28.28 20.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.678 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -62.53 -43.56 98.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.787 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.583 ' HD2' HD11 ' A' ' 29' ' ' LEU . 56.0 m-85 -77.03 -42.91 36.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.554 HD11 ' OD1' ' A' ' 26' ' ' ASP . 25.7 mt -55.21 -54.57 41.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.601 HG22 ' O ' ' A' ' 39' ' ' ASP . 14.6 t -67.31 -30.77 70.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.28 -20.26 65.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.085 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.54 -16.73 23.91 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.494 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.441 ' O ' HG21 ' A' ' 25' ' ' VAL . 26.9 m-85 -83.71 88.91 7.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.942 0.401 . . . . 0.0 110.906 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 48.6 p -99.63 -25.32 14.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.133 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 m -107.18 136.5 46.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.579 HD21 ' CB ' ' A' ' 28' ' ' TRP . 13.4 mt -59.41 -31.52 69.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -54.05 -27.87 35.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 85.6 mt -89.65 -26.23 20.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.504 HG13 ' HE3' ' A' ' 55' ' ' MET . 93.7 t -73.98 -24.66 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.124 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.581 HG22 ' HB3' ' A' ' 81' ' ' MET . 66.9 p -66.67 -23.67 66.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -99.54 22.26 11.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.504 ' HE3' HG13 ' A' ' 52' ' ' VAL . 11.6 mtm -105.83 165.24 11.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.679 HG23 ' H ' ' A' ' 58' ' ' GLU . 14.3 t -136.87 174.56 10.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.17 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.691 ' HB3' HD11 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -52.08 -30.13 24.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.818 -179.819 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.679 ' H ' HG23 ' A' ' 56' ' ' THR . 29.6 mt-10 -66.28 -39.3 89.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.42 -29.31 70.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.906 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.41 HD12 ' HG2' ' A' ' 71' ' ' GLN . 9.5 mt -68.22 -38.3 81.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.482 HD23 HG22 ' A' ' 66' ' ' THR . 0.1 OUTLIER -75.12 -19.15 60.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.887 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -75.58 -38.25 59.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.872 HD11 HD12 ' A' ' 65' ' ' ILE . 37.9 pt -81.35 -26.13 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.167 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.59 ' O ' HG23 ' A' ' 66' ' ' THR . . . 144.65 -37.03 1.39 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.531 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.872 HD12 HD11 ' A' ' 63' ' ' ILE . 63.9 mt -51.77 103.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.908 0.385 . . . . 0.0 111.121 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.59 HG23 ' O ' ' A' ' 64' ' ' GLY . 67.5 p -124.1 25.37 7.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.72 106.36 18.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.45 -37.92 63.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.078 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -72.4 -20.56 79.41 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.1 m170 -90.67 -42.55 10.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.726 0.298 . . . . 0.0 110.849 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.41 ' HG2' HD12 ' A' ' 60' ' ' LEU . 65.4 mt-30 -57.45 -33.45 67.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.67 -30.32 55.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.892 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.0 tttt -82.89 -47.51 11.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.474 HG23 ' HH2' ' A' ' 28' ' ' TRP . 69.0 mt -58.61 -59.24 3.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.131 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.691 HD11 ' HB3' ' A' ' 57' ' ' SER . 47.7 mt -53.4 -44.83 69.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 -55.66 -26.17 43.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.41 -51.91 5.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.826 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 62.0 mt -51.8 -36.01 18.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -70.38 -36.12 73.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.0 m -77.73 -26.93 50.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.581 ' HB3' HG22 ' A' ' 53' ' ' THR . 3.5 mtm -70.92 -54.84 9.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.83 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.876 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.435 HG11 ' CB ' ' A' ' 41' ' ' PHE . 67.5 t . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.85 0.357 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.36 -34.36 70.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -75.49 -46.67 31.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.625 ' CZ3' HG11 ' A' ' 52' ' ' VAL . 10.4 t90 -57.95 -56.26 24.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.949 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.59 HD11 ' HD2' ' A' ' 41' ' ' PHE . 97.4 mt -55.68 -36.09 66.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.7 t -68.75 -18.71 64.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.27 -7.42 56.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.111 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.562 HD11 HD23 ' A' ' 29' ' ' LEU . 10.4 pt -122.89 10.82 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.173 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.5 mtmt 67.24 12.59 9.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 88.3 mmm -105.29 23.63 13.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.426 HG22 ' HE ' ' A' ' 38' ' ' ARG . 0.5 OUTLIER -59.42 -20.3 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -55.54 -25.34 37.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -100.43 27.54 5.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.426 ' HE ' HG22 ' A' ' 35' ' ' VAL . 6.0 ptp180 -72.27 -25.35 61.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.612 ' O ' HG22 ' A' ' 43' ' ' THR . 2.1 m-20 -87.93 -29.47 20.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.652 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.1 OUTLIER -62.3 -44.23 97.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.752 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.59 ' HD2' HD11 ' A' ' 29' ' ' LEU . 48.2 m-85 -73.29 -44.32 59.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.826 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.0 mt -55.85 -63.0 1.32 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.612 HG22 ' O ' ' A' ' 39' ' ' ASP . 14.6 t -57.1 -30.9 64.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.169 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.15 -19.97 64.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.12 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 111.7 -17.19 25.67 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.519 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.435 ' O ' HG21 ' A' ' 25' ' ' VAL . 27.4 m-85 -82.48 89.16 6.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.95 0.405 . . . . 0.0 110.874 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 68.0 p -96.81 -25.12 15.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.0 m -109.32 140.77 42.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.493 ' O ' HG23 ' A' ' 53' ' ' THR . 9.6 mt -61.68 -30.74 70.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -55.61 -26.12 42.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.7 mt -90.42 -26.32 19.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.625 HG11 ' CZ3' ' A' ' 28' ' ' TRP . 94.1 t -78.01 -26.63 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.54 HG22 ' HB3' ' A' ' 81' ' ' MET . 69.7 p -62.6 -24.8 67.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -101.69 25.73 8.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 35.3 mmt -103.91 169.42 8.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.5 t -140.04 174.03 10.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.159 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.9 t -52.06 -39.75 60.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.808 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -58.63 -36.64 74.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.852 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -66.96 -28.46 68.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.3 mt -69.3 -38.88 78.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.592 HD23 HG22 ' A' ' 66' ' ' THR . 0.2 OUTLIER -75.14 -19.16 60.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.866 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.55 -38.28 59.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.865 HD11 HD12 ' A' ' 65' ' ' ILE . 37.9 pt -81.27 -26.24 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.162 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.442 ' O ' HG23 ' A' ' 66' ' ' THR . . . 144.82 -37.14 1.37 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.865 HD12 HD11 ' A' ' 63' ' ' ILE . 63.2 mt -51.64 103.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.879 0.371 . . . . 0.0 111.128 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.592 HG22 HD23 ' A' ' 61' ' ' LEU . 44.2 p -126.09 40.21 3.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.153 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.567 HD22 ' CE1' ' A' ' 70' ' ' HIS . 0.2 OUTLIER -115.65 106.61 14.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.95 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.31 -31.97 55.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -77.57 -19.64 75.72 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.441 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.567 ' CE1' HD22 ' A' ' 67' ' ' LEU . 39.8 m170 -93.32 -45.95 7.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.731 0.3 . . . . 0.0 110.836 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -55.07 -33.7 62.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.13 -29.55 63.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.1 tttp -83.12 -48.78 10.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.482 HG22 HD11 ' A' ' 78' ' ' ILE . 72.8 mt -55.75 -61.43 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.107 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.4 mt -52.05 -43.56 63.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.96 -28.37 36.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.87 -45.03 9.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.482 HD11 HG22 ' A' ' 74' ' ' ILE . 75.5 mt -54.25 -48.85 66.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.144 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -56.4 -37.51 70.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.7 m -77.92 -26.76 49.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.54 ' HB3' HG22 ' A' ' 53' ' ' THR . 1.8 mtm -71.09 -55.07 9.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 90.7 t . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.845 0.355 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.44 ' OD2' HD11 ' A' ' 42' ' ' LEU . 3.0 m-20 -52.15 -38.44 57.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.87 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.22 -50.86 13.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.577 ' CZ3' HG11 ' A' ' 52' ' ' VAL . 13.1 t90 -52.9 -55.98 19.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.943 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.614 HD12 ' HA ' ' A' ' 38' ' ' ARG . 60.5 mt -55.72 -36.59 67.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.926 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.8 t -69.88 -18.19 63.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.32 -7.67 54.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.114 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.502 HD11 HD23 ' A' ' 29' ' ' LEU . 10.8 pt -122.56 11.42 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.182 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 67.06 12.81 9.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 87.0 mmm -105.12 22.67 14.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -57.99 -22.29 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.09 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -55.49 -25.56 37.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -100.18 27.5 5.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.961 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.614 ' HA ' HD12 ' A' ' 29' ' ' LEU . 3.9 ptp85 -71.56 -26.05 62.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.848 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.628 ' O ' HG22 ' A' ' 43' ' ' THR . 1.1 m-20 -91.3 -27.04 18.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.839 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.641 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -62.8 -42.82 99.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.712 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.602 ' HD2' HD11 ' A' ' 29' ' ' LEU . 59.1 m-85 -78.07 -41.76 34.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.444 HD23 HG22 ' A' ' 47' ' ' THR . 30.5 mt -55.8 -59.86 4.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.628 HG22 ' O ' ' A' ' 39' ' ' ASP . 14.6 t -62.3 -30.71 71.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.9 -20.35 65.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.066 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.38 -16.84 21.83 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.537 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -84.42 88.85 7.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.909 0.385 . . . . 0.0 110.891 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.444 HG22 HD23 ' A' ' 42' ' ' LEU . 81.3 p -99.31 -25.78 14.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.6 m -105.68 133.94 49.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.563 HD21 ' CB ' ' A' ' 28' ' ' TRP . 33.4 mt -57.71 -32.22 67.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -54.46 -27.42 37.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 81.2 mt -88.3 -26.04 22.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.577 HG11 ' CZ3' ' A' ' 28' ' ' TRP . 94.5 t -75.01 -24.39 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.687 HG22 ' HB3' ' A' ' 81' ' ' MET . 50.1 p -66.59 -23.71 66.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -99.73 22.22 11.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.52 ' HE3' HG13 ' A' ' 52' ' ' VAL . 14.1 mtm -105.82 164.77 11.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.681 HG23 ' H ' ' A' ' 58' ' ' GLU . 14.3 t -135.93 174.66 10.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.645 ' CA ' HD21 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -52.03 -30.19 24.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.82 -179.884 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.681 ' H ' HG23 ' A' ' 56' ' ' THR . 39.3 mt-10 -66.28 -38.16 87.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -65.66 -28.63 69.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.846 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.4 mt -68.77 -38.08 79.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.468 HD23 HG22 ' A' ' 66' ' ' THR . 0.2 OUTLIER -75.2 -19.11 59.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.953 179.876 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -75.58 -38.31 59.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.882 HD11 HD12 ' A' ' 65' ' ' ILE . 37.9 pt -81.3 -26.21 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.117 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.616 ' O ' HG23 ' A' ' 66' ' ' THR . . . 144.84 -37.15 1.37 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.882 HD12 HD11 ' A' ' 63' ' ' ILE . 63.8 mt -51.74 103.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.941 0.401 . . . . 0.0 111.106 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.616 HG23 ' O ' ' A' ' 64' ' ' GLY . 81.8 p -125.32 25.28 7.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.49 107.94 20.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.45 -38.03 63.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -72.78 -19.77 79.47 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.514 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -89.83 -48.32 7.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.757 0.313 . . . . 0.0 110.838 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -52.41 -34.99 50.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.28 -34.38 46.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.8 tttp -81.76 -47.27 13.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.41 ' CD1' HD13 ' A' ' 65' ' ' ILE . 73.1 mt -56.49 -59.94 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.645 HD21 ' CA ' ' A' ' 57' ' ' SER . 47.4 mt -54.07 -42.29 69.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -57.64 -26.01 61.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.77 -47.26 7.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 62.3 mt -58.17 -36.82 59.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.102 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -68.32 -38.1 81.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.851 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.7 m -77.79 -26.52 49.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.687 ' HB3' HG22 ' A' ' 53' ' ' THR . 4.9 mtm -68.97 -56.93 6.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.556 HG21 ' O ' ' A' ' 46' ' ' PHE . 94.3 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.877 0.37 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.65 -34.62 78.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.859 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.8 -46.81 28.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.565 ' CZ3' HG11 ' A' ' 52' ' ' VAL . 10.0 t90 -56.2 -56.17 24.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.623 HD23 HD11 ' A' ' 32' ' ' ILE . 92.4 mt -56.14 -34.65 66.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.7 t -70.0 -17.95 63.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.11 -7.91 54.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.107 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.623 HD11 HD23 ' A' ' 29' ' ' LEU . 10.7 pt -121.93 10.93 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.8 mttt 67.35 12.55 8.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 86.1 mmm -105.32 23.5 13.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.401 HG22 ' HE ' ' A' ' 38' ' ' ARG . 0.5 OUTLIER -58.56 -21.29 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.126 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -55.47 -25.53 37.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -100.13 27.49 5.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.936 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.544 ' O ' HD12 ' A' ' 42' ' ' LEU . 6.8 ptp180 -71.92 -25.53 61.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.857 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.606 ' O ' HG22 ' A' ' 43' ' ' THR . 1.3 m-20 -89.67 -28.66 19.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.716 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.8 OUTLIER -62.21 -43.82 97.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.75 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.592 ' HD2' HD11 ' A' ' 29' ' ' LEU . 51.6 m-85 -75.58 -42.14 52.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.544 HD12 ' O ' ' A' ' 38' ' ' ARG . 12.0 mt -57.29 -61.64 2.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.606 HG22 ' O ' ' A' ' 39' ' ' ASP . 14.6 t -57.58 -30.96 65.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.513 ' HB2' HG22 ' A' ' 63' ' ' ILE . . . -67.12 -20.6 65.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 108.1 16.73 11.86 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.448 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.556 ' O ' HG21 ' A' ' 25' ' ' VAL . 29.0 m-85 -113.2 74.32 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.933 0.397 . . . . 0.0 110.898 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 44.9 p -78.67 -26.82 45.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.14 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.5 m -114.56 149.98 35.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.466 HD12 ' CE ' ' A' ' 81' ' ' MET . 4.3 mm? -66.53 -26.93 67.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.928 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -55.64 -26.04 42.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.6 mt -91.88 -26.08 18.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.951 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.565 HG11 ' CZ3' ' A' ' 28' ' ' TRP . 92.3 t -80.9 -27.19 11.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.143 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.581 HG22 ' HB3' ' A' ' 81' ' ' MET . 33.4 p -63.21 -24.85 68.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -101.78 25.95 8.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 31.6 mmt -103.11 -176.12 3.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.567 HG23 ' H ' ' A' ' 58' ' ' GLU . 14.5 t -151.78 173.98 14.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.191 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.679 ' HA ' HD21 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -52.06 -33.78 40.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.858 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.567 ' H ' HG23 ' A' ' 56' ' ' THR . 9.9 mt-10 -61.56 -42.69 99.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -58.53 -35.61 72.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.9 mt -61.66 -41.38 97.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.688 HD23 HG22 ' A' ' 66' ' ' THR . 0.2 OUTLIER -74.62 -19.26 60.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.859 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -75.44 -39.83 58.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.871 HD11 HD12 ' A' ' 65' ' ' ILE . 37.1 pt -79.55 -28.41 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.1 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.527 ' O ' HG23 ' A' ' 66' ' ' THR . . . 147.24 -37.01 1.17 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.459 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.871 HD12 HD11 ' A' ' 63' ' ' ILE . 60.2 mt -51.61 103.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.929 0.395 . . . . 0.0 111.175 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.688 HG22 HD23 ' A' ' 61' ' ' LEU . 61.6 p -122.85 29.95 6.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.145 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.84 107.96 19.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.72 -42.15 67.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.11 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.24 -19.65 72.46 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.46 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 38.5 m170 -90.7 -45.1 9.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.761 0.315 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -57.66 -34.63 69.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.5 ttmm -57.35 -26.84 61.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -87.25 -39.75 15.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.556 HG22 ' CD1' ' A' ' 78' ' ' ILE . 79.6 mt -66.73 -58.61 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.091 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.679 HD21 ' HA ' ' A' ' 57' ' ' SER . 15.3 mt -53.02 -40.89 64.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.94 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -56.79 -25.99 56.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.933 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.16 -40.92 9.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.556 ' CD1' HG22 ' A' ' 74' ' ' ILE . 81.0 mt -63.06 -44.23 99.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.157 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -61.96 -40.06 94.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.8 m -76.85 -26.61 54.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.581 ' HB3' HG22 ' A' ' 53' ' ' THR . 0.8 OUTLIER -67.83 -57.44 6.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.88 179.927 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 80.9 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.846 0.355 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.41 -34.41 64.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -75.74 -46.65 29.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.618 ' CZ3' HG11 ' A' ' 52' ' ' VAL . 11.0 t90 -57.84 -56.43 22.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.614 HD23 HD11 ' A' ' 32' ' ' ILE . 93.1 mt -56.09 -35.01 66.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.6 t -70.14 -17.89 63.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.45 -7.76 54.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.614 HD11 HD23 ' A' ' 29' ' ' LEU . 11.3 pt -122.15 11.24 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt 67.12 12.69 9.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 88.0 mmm -105.29 23.41 13.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.69 -21.21 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.128 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -55.58 -25.38 37.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.946 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -100.4 27.32 5.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.963 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.442 ' HA ' HD12 ' A' ' 29' ' ' LEU . 7.6 ptp180 -72.13 -25.61 61.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.631 ' O ' HG22 ' A' ' 43' ' ' THR . 0.4 OUTLIER -89.0 -28.95 19.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.556 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -61.8 -44.03 97.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 -179.755 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.592 ' HD2' HD11 ' A' ' 29' ' ' LEU . 49.8 m-85 -74.26 -42.53 59.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 40.1 mt -56.92 -62.04 2.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.631 HG22 ' O ' ' A' ' 39' ' ' ASP . 15.2 t -58.3 -31.61 67.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.174 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.87 -20.04 65.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.71 -17.51 22.99 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.501 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -82.8 88.27 6.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.989 0.423 . . . . 0.0 110.918 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 81.8 p -96.0 -25.16 16.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.174 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.9 m -110.83 140.19 45.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.651 ' O ' HG23 ' A' ' 53' ' ' THR . 7.7 mt -56.65 -32.51 65.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -55.34 -26.28 39.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.4 mt -87.31 -25.85 23.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.618 HG11 ' CZ3' ' A' ' 28' ' ' TRP . 92.3 t -84.65 -25.14 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.651 HG23 ' O ' ' A' ' 49' ' ' LEU . 73.4 p -62.95 -24.53 67.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -105.51 29.54 6.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 35.0 mmt -104.9 179.06 4.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.6 t -146.5 173.85 11.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.122 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.448 ' CA ' HD21 ' A' ' 75' ' ' LEU . 0.5 OUTLIER -52.14 -45.96 65.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.889 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -55.11 -42.56 73.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -59.27 -26.67 65.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.9 mt -71.09 -36.77 72.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.86 -18.93 59.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 17.7 mtm180 -76.25 -37.79 57.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.904 HD11 HD12 ' A' ' 65' ' ' ILE . 37.6 pt -81.1 -26.81 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.105 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.442 ' O ' HG23 ' A' ' 66' ' ' THR . . . 145.41 -36.9 1.34 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.904 HD12 HD11 ' A' ' 63' ' ' ILE . 60.6 mt -52.75 102.48 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.904 0.383 . . . . 0.0 111.12 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.442 HG23 ' O ' ' A' ' 64' ' ' GLY . 46.9 p -123.23 34.38 5.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.99 104.71 12.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.52 -37.17 62.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.058 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -72.58 -19.97 79.32 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.46 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -91.66 -46.22 8.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.692 0.282 . . . . 0.0 110.824 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -54.12 -33.35 57.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.51 -28.54 60.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.826 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.0 tttt -84.6 -41.78 16.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.907 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.594 HG22 HD11 ' A' ' 78' ' ' ILE . 53.4 mt -63.28 -61.33 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.448 HD21 ' CA ' ' A' ' 57' ' ' SER . 9.3 mt -52.64 -43.37 65.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -55.31 -26.31 39.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.3 t -91.96 -39.36 11.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.594 HD11 HG22 ' A' ' 74' ' ' ILE . 62.4 mt -60.25 -47.0 93.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -57.24 -36.88 71.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.2 m -80.53 -27.32 37.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.405 ' HB3' HG22 ' A' ' 53' ' ' THR . 1.1 mtm -68.37 -56.0 10.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 -179.948 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 44.4 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.796 0.332 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.414 ' OD2' HD11 ' A' ' 42' ' ' LEU . 2.7 m-20 -51.98 -31.89 31.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.9 -52.06 7.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.646 ' CZ3' HG11 ' A' ' 52' ' ' VAL . 12.9 t90 -53.0 -55.21 25.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.578 HD11 ' HD2' ' A' ' 41' ' ' PHE . 79.5 mt -55.57 -37.16 67.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.9 t -69.59 -18.48 63.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.825 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.27 -6.09 57.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.059 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.505 HD11 HD23 ' A' ' 29' ' ' LEU . 11.4 pt -124.23 11.07 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.134 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 67.41 12.49 8.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 85.6 mmm -105.03 22.81 14.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -58.04 -21.67 17.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.123 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -55.48 -25.44 36.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -99.79 27.34 5.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.542 ' HA ' HD12 ' A' ' 29' ' ' LEU . 3.6 ptp85 -71.49 -26.19 62.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.621 ' O ' HG22 ' A' ' 43' ' ' THR . 0.6 OUTLIER -91.0 -27.09 18.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.8 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -62.96 -42.89 99.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.795 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.578 ' HD2' HD11 ' A' ' 29' ' ' LEU . 55.5 m-85 -77.61 -43.09 32.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.414 HD11 ' OD2' ' A' ' 26' ' ' ASP . 22.5 mt -54.48 -62.3 1.74 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.621 HG22 ' O ' ' A' ' 39' ' ' ASP . 14.6 t -58.93 -30.76 68.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.149 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.34 -20.2 65.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.078 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.6 -17.21 21.03 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.494 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -81.16 89.11 5.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.948 0.404 . . . . 0.0 110.893 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.4 p -98.73 -25.36 14.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.107 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 66.3 m -107.76 136.06 48.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.611 HD21 ' CB ' ' A' ' 28' ' ' TRP . 29.5 mt -58.24 -32.46 68.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -54.93 -26.84 38.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 85.1 mt -86.91 -30.49 21.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.646 HG11 ' CZ3' ' A' ' 28' ' ' TRP . 93.8 t -73.55 -27.42 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.175 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.626 HG22 ' HB3' ' A' ' 81' ' ' MET . 51.0 p -62.75 -24.98 67.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -101.07 25.65 7.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.947 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 38.1 mmt -103.72 170.93 7.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.436 HG23 ' H ' ' A' ' 58' ' ' GLU . 14.7 t -142.31 173.47 11.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.177 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.567 ' CA ' HD21 ' A' ' 75' ' ' LEU . 3.4 t -52.11 -37.32 53.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.436 ' H ' HG23 ' A' ' 56' ' ' THR . 18.3 mt-10 -61.12 -33.42 73.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -70.65 -26.77 63.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.8 mt -72.87 -37.39 67.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.754 HD23 HG22 ' A' ' 66' ' ' THR . 0.3 OUTLIER -75.37 -19.53 59.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.892 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -75.17 -38.1 61.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.898 HD11 HD12 ' A' ' 65' ' ' ILE . 37.8 pt -81.48 -26.14 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.75 -37.39 1.36 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.481 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.898 HD12 HD11 ' A' ' 63' ' ' ILE . 62.0 mt -51.85 102.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.942 0.401 . . . . 0.0 111.182 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.754 HG22 HD23 ' A' ' 61' ' ' LEU . 18.1 p -117.27 -18.4 9.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.166 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -55.27 108.4 0.41 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.89 -26.47 35.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.079 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -82.12 -21.43 60.92 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.499 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -89.03 -34.06 16.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.699 0.285 . . . . 0.0 110.854 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.409 ' O ' HD12 ' A' ' 75' ' ' LEU . 51.5 mt-30 -69.04 -32.36 71.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.932 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.55 -28.74 70.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -82.27 -46.83 13.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.493 HG22 ' CD1' ' A' ' 78' ' ' ILE . 55.0 mt -57.82 -58.7 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.567 HD21 ' CA ' ' A' ' 57' ' ' SER . 6.0 mt -52.64 -43.33 65.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.944 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -57.24 -27.13 61.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.51 -45.72 8.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.493 ' CD1' HG22 ' A' ' 74' ' ' ILE . 77.1 mt -59.77 -45.12 95.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -60.52 -26.75 67.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.859 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.3 m -90.12 -26.61 20.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.626 ' HB3' HG22 ' A' ' 53' ' ' THR . 0.3 OUTLIER -68.78 -53.05 23.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.903 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.931 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.433 HG21 ' O ' ' A' ' 46' ' ' PHE . 96.7 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.813 0.339 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -60.44 -35.4 75.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -76.64 -51.31 11.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.471 ' CE3' HD11 ' A' ' 49' ' ' LEU . 13.0 t90 -52.63 -56.0 18.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.951 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.61 HD12 ' HA ' ' A' ' 38' ' ' ARG . 59.9 mt -55.59 -36.57 67.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.8 t -69.87 -18.53 63.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.97 -7.11 56.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.114 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.496 HD11 HD23 ' A' ' 29' ' ' LEU . 10.5 pt -123.21 11.15 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.3 mttt 67.42 12.49 8.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 58.1 mmm -104.71 22.53 14.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -57.74 -22.53 18.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -55.44 -25.48 36.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -100.1 27.54 5.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.61 ' HA ' HD12 ' A' ' 29' ' ' LEU . 3.8 ptp85 -71.94 -26.03 62.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.884 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.665 ' O ' HG22 ' A' ' 43' ' ' THR . 0.9 OUTLIER -90.12 -29.04 18.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.602 ' HB3' HD12 ' A' ' 63' ' ' ILE . 1.3 t -59.97 -43.2 95.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.493 ' HD2' HD11 ' A' ' 29' ' ' LEU . 60.1 m-85 -78.39 -43.6 27.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.431 HD12 ' O ' ' A' ' 38' ' ' ARG . 16.6 mt -52.18 -62.67 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.665 HG22 ' O ' ' A' ' 39' ' ' ASP . 12.3 t -58.34 -32.93 68.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.473 ' HB2' HG22 ' A' ' 63' ' ' ILE . . . -64.58 -21.28 66.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.091 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 108.12 16.63 12.04 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.446 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.433 ' O ' HG21 ' A' ' 25' ' ' VAL . 28.8 m-85 -113.14 79.71 1.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.934 0.397 . . . . 0.0 110.887 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 43.7 p -86.94 -25.23 24.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.138 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.8 m -116.53 136.64 52.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.54 HD12 ' CE ' ' A' ' 81' ' ' MET . 4.3 mm? -55.57 -26.58 44.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -54.28 -27.63 36.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.3 mt -91.88 -25.96 18.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.1 t -79.18 -27.93 13.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.483 HG22 ' HB3' ' A' ' 81' ' ' MET . 37.6 p -62.45 -24.87 67.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -101.62 26.05 7.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 36.3 mmt -104.35 -176.05 2.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.657 HG23 ' H ' ' A' ' 58' ' ' GLU . 14.6 t -151.93 173.92 14.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.142 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.701 ' HB3' HD11 ' A' ' 75' ' ' LEU . 0.2 OUTLIER -52.08 -30.07 24.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.847 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.657 ' H ' HG23 ' A' ' 56' ' ' THR . 20.6 mt-10 -64.13 -44.42 92.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -58.02 -37.15 73.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.838 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.8 mt -61.67 -42.11 98.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.619 HD23 HG22 ' A' ' 66' ' ' THR . 0.6 OUTLIER -74.05 -19.21 60.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 179.879 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.0 mtm180 -74.81 -42.36 58.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.897 HD11 HD12 ' A' ' 65' ' ' ILE . 33.3 pt -77.0 -30.14 17.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 148.84 -36.29 1.06 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.511 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.897 HD12 HD11 ' A' ' 63' ' ' ILE . 58.8 mt -51.72 102.98 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 111.162 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.619 HG22 HD23 ' A' ' 61' ' ' LEU . 26.0 p -124.7 13.5 8.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -81.5 106.98 13.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.95 -33.41 56.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.154 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -78.5 -19.35 74.02 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.473 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.8 m170 -91.03 -46.38 8.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.76 0.314 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -52.7 -39.3 61.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.01 -26.61 38.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -86.72 -43.22 12.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.496 HG22 ' CD1' ' A' ' 78' ' ' ILE . 76.3 mt -61.96 -60.21 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.701 HD11 ' HB3' ' A' ' 57' ' ' SER . 36.3 mt -53.38 -40.49 65.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -59.35 -26.08 64.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.54 -42.62 9.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.496 ' CD1' HG22 ' A' ' 74' ' ' ILE . 78.0 mt -63.43 -43.24 98.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.134 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -57.59 -40.24 78.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.5 t -81.3 -26.65 35.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.54 ' CE ' HD12 ' A' ' 49' ' ' LEU . 0.4 OUTLIER -67.49 -51.14 54.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 -179.917 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 98.6 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.891 0.377 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.441 ' OD1' HD11 ' A' ' 42' ' ' LEU . 9.2 m-20 -62.65 -36.24 82.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.85 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.39 -49.88 13.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.469 ' CE3' HD11 ' A' ' 49' ' ' LEU . 12.5 t90 -52.87 -56.46 15.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.614 HD12 ' HA ' ' A' ' 38' ' ' ARG . 61.0 mt -55.73 -36.37 67.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.6 t -70.05 -18.33 63.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.47 -5.45 57.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.089 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.506 HD11 HD23 ' A' ' 29' ' ' LEU . 10.5 pt -124.86 10.9 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.165 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 67.6 12.45 8.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 57.9 mmm -104.81 22.52 15.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.466 HG22 ' HE ' ' A' ' 38' ' ' ARG . 0.6 OUTLIER -58.17 -21.78 18.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.159 179.919 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -55.5 -25.45 37.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -100.94 27.43 6.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.614 ' HA ' HD12 ' A' ' 29' ' ' LEU . 7.5 ptp180 -72.88 -27.8 62.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.622 ' O ' HG22 ' A' ' 43' ' ' THR . 1.4 m-20 -87.7 -27.33 22.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.775 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -62.92 -42.92 99.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.807 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.521 ' HD2' HD11 ' A' ' 29' ' ' LEU . 56.7 m-85 -78.28 -40.99 35.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.441 HD11 ' OD1' ' A' ' 26' ' ' ASP . 18.1 mt -56.54 -61.09 2.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.622 HG22 ' O ' ' A' ' 39' ' ' ASP . 14.6 t -60.09 -30.91 69.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.58 -20.2 65.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.105 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 114.0 -17.71 19.61 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.486 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -80.94 85.86 6.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.949 0.404 . . . . 0.0 110.916 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.2 p -92.56 -32.33 14.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.183 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.7 m -109.04 135.32 50.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.548 HD12 ' CE ' ' A' ' 81' ' ' MET . 4.3 mm? -53.17 -28.68 27.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -52.74 -29.26 26.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 74.5 mt -89.74 -26.03 20.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.403 HG11 ' CZ3' ' A' ' 28' ' ' TRP . 94.5 t -75.31 -35.7 34.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.787 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.566 HG22 ' HB3' ' A' ' 81' ' ' MET . 45.9 p -56.53 -24.32 45.87 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -99.62 25.2 7.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 27.6 mmt -108.51 171.51 7.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.627 HG23 ' H ' ' A' ' 58' ' ' GLU . 14.5 t -140.38 174.25 10.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.187 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.734 ' HB3' HD11 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -52.09 -31.84 32.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 -179.848 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.627 ' H ' HG23 ' A' ' 56' ' ' THR . 37.7 mt-10 -66.01 -36.11 82.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.514 ' OD2' HG22 ' A' ' 56' ' ' THR . 12.0 m-20 -66.17 -28.35 68.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.5 mt -72.06 -38.02 69.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 1.019 HD23 HG22 ' A' ' 66' ' ' THR . 0.3 OUTLIER -75.57 -19.06 59.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.919 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.7 mtp85 -75.57 -39.27 58.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.887 HD11 HD12 ' A' ' 65' ' ' ILE . 35.5 pt -79.82 -27.18 12.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.491 ' O ' HG23 ' A' ' 66' ' ' THR . . . 145.57 -36.66 1.34 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.47 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.887 HD12 HD11 ' A' ' 63' ' ' ILE . 60.5 mt -52.63 102.49 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.902 0.382 . . . . 0.0 111.159 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . 1.019 HG22 HD23 ' A' ' 61' ' ' LEU . 65.0 p -124.4 14.21 8.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -81.49 107.08 13.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.966 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.13 -32.4 55.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -79.22 -19.61 71.66 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.514 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 38.2 m170 -91.29 -46.42 8.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.744 0.307 . . . . 0.0 110.831 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -52.02 -40.33 60.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.97 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -53.17 -28.66 27.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -83.22 -53.04 6.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.894 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.509 HG22 ' CD1' ' A' ' 78' ' ' ILE . 77.1 mt -52.51 -60.07 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.088 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.734 HD11 ' HB3' ' A' ' 57' ' ' SER . 40.2 mt -53.34 -41.64 65.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.12 -25.79 64.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.17 -41.53 10.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.828 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.509 ' CD1' HG22 ' A' ' 74' ' ' ILE . 81.2 mt -65.03 -43.81 95.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.121 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -57.4 -38.98 75.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 30.6 t -81.77 -30.53 32.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.566 ' HB3' HG22 ' A' ' 53' ' ' THR . 0.4 OUTLIER -65.12 -49.17 70.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.0 ptt180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.913 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.451 HG21 ' O ' ' A' ' 46' ' ' PHE . 77.8 t . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.831 0.348 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.427 ' OD1' HD11 ' A' ' 42' ' ' LEU . 15.0 m-20 -52.22 -37.65 55.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.818 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.37 -50.61 13.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.826 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.581 ' CB ' HD21 ' A' ' 49' ' ' LEU . 13.4 t90 -53.52 -55.91 21.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.6 HD12 ' HA ' ' A' ' 38' ' ' ARG . 62.2 mt -55.64 -36.46 67.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.937 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.1 t -70.24 -18.29 63.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.25 -7.52 55.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.082 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.505 HD11 HD23 ' A' ' 29' ' ' LEU . 11.3 pt -122.65 11.15 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.166 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 67.36 12.58 8.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 66.6 mmm -104.65 22.57 14.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.409 HG22 ' HE ' ' A' ' 38' ' ' ARG . 0.5 OUTLIER -58.01 -22.07 18.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.131 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -55.56 -25.42 37.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -100.54 27.29 5.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.6 ' HA ' HD12 ' A' ' 29' ' ' LEU . 8.0 ptp180 -72.37 -25.97 61.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.956 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.613 ' O ' HG22 ' A' ' 43' ' ' THR . 0.5 OUTLIER -88.96 -27.99 20.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.793 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -63.29 -43.31 98.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.747 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.589 ' HD2' HD11 ' A' ' 29' ' ' LEU . 55.6 m-85 -77.59 -40.89 40.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.891 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.455 HD23 HG22 ' A' ' 47' ' ' THR . 22.7 mt -57.07 -56.59 19.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.919 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.613 HG22 ' O ' ' A' ' 39' ' ' ASP . 14.6 t -65.46 -30.77 71.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.34 -20.25 65.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.076 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.19 -16.74 24.76 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.499 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.451 ' O ' HG21 ' A' ' 25' ' ' VAL . 27.1 m-85 -82.5 89.15 6.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.946 0.403 . . . . 0.0 110.883 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.455 HG22 HD23 ' A' ' 42' ' ' LEU . 59.0 p -102.01 -25.23 13.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.8 m -105.96 132.59 51.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.581 HD21 ' CB ' ' A' ' 28' ' ' TRP . 9.4 mt -56.83 -32.73 66.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.921 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -54.08 -27.84 35.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 71.1 mt -88.92 -26.02 21.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.957 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.504 HG13 ' HE3' ' A' ' 55' ' ' MET . 93.9 t -74.88 -24.58 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.107 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.628 HG22 ' HB3' ' A' ' 81' ' ' MET . 45.5 p -66.4 -23.91 66.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.185 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -99.52 22.34 10.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.504 ' HE3' HG13 ' A' ' 52' ' ' VAL . 13.4 mtm -106.14 162.38 13.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.677 HG23 ' H ' ' A' ' 58' ' ' GLU . 14.4 t -133.15 174.52 10.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.14 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.664 ' HB3' HD11 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -52.04 -30.08 23.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.84 -179.822 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.677 ' H ' HG23 ' A' ' 56' ' ' THR . 21.1 mt-10 -66.24 -37.13 84.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.0 -33.99 77.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.1 mt -67.73 -36.48 80.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.969 HD23 HG22 ' A' ' 66' ' ' THR . 0.3 OUTLIER -76.47 -19.0 58.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 179.908 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -76.21 -37.6 57.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.889 HD11 HD12 ' A' ' 65' ' ' ILE . 37.1 pt -81.02 -26.29 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.131 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.668 ' O ' HG23 ' A' ' 66' ' ' THR . . . 144.87 -36.84 1.39 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.485 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.889 HD12 HD11 ' A' ' 63' ' ' ILE . 58.4 mt -53.9 101.67 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.952 0.406 . . . . 0.0 111.164 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.969 HG22 HD23 ' A' ' 61' ' ' LEU . 61.3 p -123.16 15.22 9.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.155 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -81.51 108.17 14.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.939 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.92 -34.28 59.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.11 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -77.12 -23.82 67.82 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.51 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.2 m170 -85.76 -47.39 9.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.765 0.317 . . . . 0.0 110.853 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -52.52 -38.37 59.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -28.27 31.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -84.96 -52.78 5.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.463 HG23 ' HH2' ' A' ' 28' ' ' TRP . 76.9 mt -52.26 -59.42 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.148 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.664 HD11 ' HB3' ' A' ' 57' ' ' SER . 52.9 mt -52.43 -44.9 65.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -55.7 -26.19 43.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.78 -48.05 7.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 62.3 mt -57.35 -36.32 52.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.144 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -69.55 -37.77 77.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.0 t -76.68 -29.04 56.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.628 ' HB3' HG22 ' A' ' 53' ' ' THR . 4.7 mtm -69.65 -54.63 12.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.903 -179.942 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.0 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.828 0.346 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -62.65 -36.13 81.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.837 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -77.5 -49.7 14.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.443 ' CE3' HD11 ' A' ' 49' ' ' LEU . 12.6 t90 -53.0 -56.46 15.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.622 HD12 ' HA ' ' A' ' 38' ' ' ARG . 60.5 mt -55.73 -36.2 66.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.965 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.6 t -70.14 -18.14 63.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.31 -6.78 56.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.516 HD11 HD23 ' A' ' 29' ' ' LEU . 10.2 pt -123.55 11.08 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.084 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.9 mtmt 67.49 12.46 8.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 61.6 mmm -104.76 22.63 14.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.887 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.452 HG22 ' HE ' ' A' ' 38' ' ' ARG . 0.5 OUTLIER -58.24 -21.62 17.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.4 pt20 -55.47 -25.7 38.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -100.97 27.54 5.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.956 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.622 ' HA ' HD12 ' A' ' 29' ' ' LEU . 7.9 ptp180 -72.63 -27.93 62.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.893 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.628 ' O ' HG22 ' A' ' 43' ' ' THR . 3.6 m-20 -87.57 -27.42 22.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.755 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -62.72 -43.04 99.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.834 -179.764 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.535 ' HD2' HD11 ' A' ' 29' ' ' LEU . 57.2 m-85 -78.15 -41.24 35.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.1 mt -56.24 -61.33 2.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.628 HG22 ' O ' ' A' ' 39' ' ' ASP . 14.6 t -60.11 -30.9 69.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.26 -20.3 65.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.118 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.93 -17.36 20.1 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.454 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -81.3 87.01 6.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.89 0.376 . . . . 0.0 110.913 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 51.3 p -93.41 -32.74 14.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.165 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.5 m -108.04 134.65 50.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.828 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.531 HD12 ' CE ' ' A' ' 81' ' ' MET . 4.3 mm? -52.78 -29.49 27.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.99 -28.93 26.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 93.4 mt -89.57 -25.88 21.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.411 HG11 ' CZ3' ' A' ' 28' ' ' TRP . 95.4 t -76.42 -33.73 23.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.112 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.563 HG22 ' HB3' ' A' ' 81' ' ' MET . 46.5 p -57.7 -23.76 53.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -99.88 24.93 7.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.942 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 37.7 mmt -106.67 173.67 6.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.607 HG23 ' H ' ' A' ' 58' ' ' GLU . 14.4 t -143.98 174.37 10.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.109 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.696 ' HB3' HD11 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -51.98 -32.86 35.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.863 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.607 ' H ' HG23 ' A' ' 56' ' ' THR . 16.8 mt-10 -64.71 -40.01 94.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.871 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -63.32 -33.46 75.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 15.2 mt -66.88 -37.94 85.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.833 HD23 HG22 ' A' ' 66' ' ' THR . 0.4 OUTLIER -75.92 -18.93 59.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 179.898 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.8 -39.16 57.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.897 HD11 HD12 ' A' ' 65' ' ' ILE . 35.1 pt -79.59 -27.39 12.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.75 -36.32 1.34 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.482 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.897 HD12 HD11 ' A' ' 63' ' ' ILE . 59.1 mt -53.49 102.03 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.89 0.376 . . . . 0.0 111.159 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.833 HG22 HD23 ' A' ' 61' ' ' LEU . 40.3 p -123.64 14.0 9.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.123 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -81.4 107.11 13.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.14 -33.42 57.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -78.43 -19.23 74.44 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.489 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 38.6 m170 -91.42 -46.03 8.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.753 0.311 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -52.97 -38.93 62.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -54.4 -27.34 36.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -85.31 -51.01 6.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.535 HG22 ' CD1' ' A' ' 78' ' ' ILE . 80.3 mt -53.96 -61.37 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.127 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.696 HD11 ' HB3' ' A' ' 57' ' ' SER . 29.3 mt -53.67 -40.61 66.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -58.24 -26.09 62.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.3 t -93.17 -39.42 11.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.905 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.535 ' CD1' HG22 ' A' ' 74' ' ' ILE . 78.0 mt -65.63 -44.29 93.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.16 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -58.03 -35.66 71.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 14.9 t -85.56 -26.44 26.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.828 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.563 ' HB3' HG22 ' A' ' 53' ' ' THR . 0.2 OUTLIER -70.48 -44.41 67.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.961 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.511 HG21 ' O ' ' A' ' 46' ' ' PHE . 98.0 t . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.878 0.37 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.555 ' OD2' HD11 ' A' ' 42' ' ' LEU . 2.0 m-20 -61.88 -34.56 76.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.45 -49.57 12.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.45 ' CE3' HD11 ' A' ' 49' ' ' LEU . 12.6 t90 -52.94 -56.5 15.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.616 HD12 ' HA ' ' A' ' 38' ' ' ARG . 58.1 mt -55.76 -36.57 67.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.4 t -69.66 -18.18 63.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.19 -7.33 55.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.096 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.5 HD11 HD23 ' A' ' 29' ' ' LEU . 10.0 pt -122.98 11.08 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.13 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt 67.45 12.49 8.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 60.7 mmm -104.85 22.79 14.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.434 HG22 ' HE ' ' A' ' 38' ' ' ARG . 0.5 OUTLIER -58.13 -21.98 18.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.164 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -55.6 -25.36 38.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -100.78 27.56 5.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.616 ' HA ' HD12 ' A' ' 29' ' ' LEU . 8.0 ptp180 -72.85 -27.08 61.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.605 ' O ' HG22 ' A' ' 43' ' ' THR . 1.2 m-20 -88.28 -27.63 21.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.641 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.9 OUTLIER -62.88 -43.17 99.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.793 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.494 ' HD2' HD11 ' A' ' 29' ' ' LEU . 57.4 m-85 -79.15 -44.18 22.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.834 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.555 HD11 ' OD2' ' A' ' 26' ' ' ASP . 15.3 mt -52.1 -63.14 1.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.605 HG22 ' O ' ' A' ' 39' ' ' ASP . 14.6 t -56.69 -30.86 63.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.24 -19.96 64.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.26 -17.43 24.12 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.505 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.511 ' O ' HG21 ' A' ' 25' ' ' VAL . 27.2 m-85 -77.42 74.21 3.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.882 0.372 . . . . 0.0 110.899 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.4 p -81.69 -34.51 30.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.104 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 38.0 m -106.68 140.32 39.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.713 ' O ' HG23 ' A' ' 53' ' ' THR . 4.3 mm? -59.65 -27.86 66.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -55.35 -26.29 40.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 74.5 mt -90.41 -26.04 20.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.3 t -80.89 -30.77 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.713 HG23 ' O ' ' A' ' 49' ' ' LEU . 67.4 p -57.86 -24.2 56.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -105.33 30.29 5.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 34.5 mmt -110.14 -176.13 2.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.664 HG23 ' H ' ' A' ' 58' ' ' GLU . 14.5 t -152.06 174.08 14.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.11 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.557 ' HB2' HD11 ' A' ' 75' ' ' LEU . 13.4 t -52.02 -30.15 24.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.664 ' H ' HG23 ' A' ' 56' ' ' THR . 42.6 mt-10 -61.38 -36.22 79.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -70.76 -32.56 69.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.0 mt -66.08 -40.98 91.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.908 HD23 HG22 ' A' ' 66' ' ' THR . 0.3 OUTLIER -74.33 -19.22 60.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.891 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -74.89 -42.09 58.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.905 HD11 HD12 ' A' ' 65' ' ' ILE . 33.2 pt -77.04 -30.21 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 148.82 -36.35 1.06 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.506 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.905 HD12 HD11 ' A' ' 63' ' ' ILE . 59.0 mt -51.74 103.05 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.924 0.392 . . . . 0.0 111.159 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.908 HG22 HD23 ' A' ' 61' ' ' LEU . 23.9 p -124.73 13.52 8.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -81.47 106.72 13.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.12 -32.5 55.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.082 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -79.32 -19.33 72.06 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.542 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.4 m170 -91.38 -45.65 8.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.775 0.322 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -53.11 -39.96 63.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.95 -27.84 33.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -84.61 -46.27 11.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.465 HG22 ' CD1' ' A' ' 78' ' ' ILE . 79.7 mt -57.85 -61.23 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.127 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.557 HD11 ' HB2' ' A' ' 57' ' ' SER . 5.1 mt -52.49 -45.13 66.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 29.6 m-20 -56.08 -26.17 48.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.8 t -91.14 -44.39 9.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.465 ' CD1' HG22 ' A' ' 74' ' ' ILE . 80.7 mt -61.46 -44.97 99.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.082 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -57.13 -37.75 72.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.8 t -82.17 -26.44 33.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.591 ' CE ' HD12 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -67.52 -50.4 58.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.912 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.461 HG21 ' O ' ' A' ' 46' ' ' PHE . 39.0 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.798 0.332 . . . . 0.0 111.114 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -52.88 -32.42 44.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.73 -51.74 8.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.862 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.487 ' CZ3' HG11 ' A' ' 52' ' ' VAL . 12.9 t90 -53.21 -55.26 25.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.573 HD11 ' HD2' ' A' ' 41' ' ' PHE . 79.5 mt -55.57 -36.89 67.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.8 t -69.82 -18.49 63.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.869 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.26 -5.59 57.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.074 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.512 HD11 HD23 ' A' ' 29' ' ' LEU . 11.3 pt -124.87 10.98 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.143 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt 67.57 12.38 8.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 59.0 mmm -104.65 22.6 14.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -58.37 -21.51 18.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -55.56 -25.47 38.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.958 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -99.99 27.25 5.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.532 ' HA ' HD12 ' A' ' 29' ' ' LEU . 6.5 ptp180 -71.85 -25.66 62.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.569 ' O ' HG22 ' A' ' 43' ' ' THR . 3.0 m-20 -90.22 -27.85 19.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.795 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -62.81 -43.22 99.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.737 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.573 ' HD2' HD11 ' A' ' 29' ' ' LEU . 53.9 m-85 -76.65 -43.92 36.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.9 mt -52.95 -61.53 2.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.569 HG22 ' O ' ' A' ' 39' ' ' ASP . 14.6 t -60.6 -30.73 70.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.03 -20.3 65.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.98 -17.21 20.09 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.512 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.461 ' O ' HG21 ' A' ' 25' ' ' VAL . 28.0 m-85 -81.04 89.07 5.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.859 0.361 . . . . 0.0 110.859 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 67.4 p -96.91 -25.62 15.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 69.6 m -111.92 146.91 36.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.47 HD21 ' CB ' ' A' ' 28' ' ' TRP . 25.5 mt -67.3 -30.77 70.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.93 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -54.18 -28.24 39.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.7 mt -88.82 -26.4 21.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.487 HG11 ' CZ3' ' A' ' 28' ' ' TRP . 89.9 t -80.68 -25.13 11.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.113 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.731 HG22 ' HB3' ' A' ' 81' ' ' MET . 21.7 p -65.05 -24.96 67.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.16 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -103.04 26.22 8.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 34.4 mmt -100.4 -176.43 3.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.655 HG23 ' H ' ' A' ' 58' ' ' GLU . 14.6 t -148.84 173.84 12.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.154 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.759 ' HB3' HD11 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -52.11 -30.08 24.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 -179.859 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.655 ' H ' HG23 ' A' ' 56' ' ' THR . 40.4 mt-10 -63.36 -47.17 83.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -52.62 -33.24 45.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.5 mt -68.82 -43.33 75.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 1.049 HD23 HG22 ' A' ' 66' ' ' THR . 0.4 OUTLIER -74.63 -19.23 60.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.911 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -74.72 -40.61 61.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.854 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.881 HD11 HD12 ' A' ' 65' ' ' ILE . 34.5 pt -79.1 -27.4 13.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.567 ' O ' HG23 ' A' ' 66' ' ' THR . . . 145.72 -36.56 1.33 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.457 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.881 HD12 HD11 ' A' ' 63' ' ' ILE . 63.6 mt -51.64 103.24 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.926 0.393 . . . . 0.0 111.115 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . 1.049 HG22 HD23 ' A' ' 61' ' ' LEU . 77.3 p -124.21 15.96 9.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -81.69 114.92 20.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.98 -31.52 69.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.103 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -80.94 -20.19 65.87 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.495 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -90.51 -44.01 9.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.773 0.32 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -55.26 -39.86 70.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.46 -26.08 40.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -85.36 -51.89 6.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.439 HG23 ' HH2' ' A' ' 28' ' ' TRP . 77.3 mt -52.94 -61.41 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.759 HD11 ' HB3' ' A' ' 57' ' ' SER . 60.4 mt -52.13 -46.79 65.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.949 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -54.76 -27.05 38.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.99 -51.52 5.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 64.3 mt -52.41 -43.88 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.145 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -59.05 -36.23 74.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.6 m -81.23 -26.53 35.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.731 ' HB3' HG22 ' A' ' 53' ' ' THR . 0.9 OUTLIER -69.46 -55.68 9.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.1 ptt180 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.951 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.528 HG21 ' O ' ' A' ' 46' ' ' PHE . 46.5 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.818 0.342 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -53.71 -30.87 45.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.97 -51.25 8.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.822 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.61 ' CZ3' HG11 ' A' ' 52' ' ' VAL . 13.4 t90 -53.93 -55.02 30.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.595 HD11 ' HD2' ' A' ' 41' ' ' PHE . 76.6 mt -55.77 -36.63 67.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.0 t -70.13 -17.69 63.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.82 -7.75 53.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.54 HD11 HD23 ' A' ' 29' ' ' LEU . 10.8 pt -122.47 11.5 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.106 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 67.1 12.75 9.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.948 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 85.4 mmm -105.0 22.76 14.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.942 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.15 -21.95 18.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -55.48 -25.57 37.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -100.03 27.5 5.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.977 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.545 ' HA ' HD12 ' A' ' 29' ' ' LEU . 3.6 ptp85 -71.85 -25.94 62.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.854 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.613 ' O ' HG22 ' A' ' 43' ' ' THR . 1.1 m-20 -88.46 -29.01 20.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.853 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.795 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -62.43 -43.93 97.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.771 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.595 ' HD2' HD11 ' A' ' 29' ' ' LEU . 54.2 m-85 -76.91 -40.4 47.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.9 mt -57.92 -57.9 10.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.613 HG22 ' O ' ' A' ' 39' ' ' ASP . 14.6 t -63.36 -30.74 71.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.157 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.88 -20.3 65.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.73 -16.94 20.91 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.522 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.528 ' O ' HG21 ' A' ' 25' ' ' VAL . 27.7 m-85 -81.31 87.1 6.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.914 0.388 . . . . 0.0 110.885 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 46.4 p -95.28 -25.3 16.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.144 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.6 m -112.11 137.46 50.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 22.0 mt -58.27 -28.71 65.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -54.22 -27.62 35.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.6 mt -90.72 -26.09 19.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.61 HG11 ' CZ3' ' A' ' 28' ' ' TRP . 96.1 t -75.47 -29.34 20.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.092 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.671 HG22 ' HB3' ' A' ' 81' ' ' MET . 31.2 p -61.77 -24.81 67.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -101.12 25.62 7.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 38.7 mmt -104.81 166.73 10.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.821 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.6 t -136.36 173.84 11.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.767 ' HB3' HD11 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -52.19 -39.06 59.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.875 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -58.94 -41.15 86.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -59.72 -34.37 72.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.824 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.0 mt -67.6 -34.89 77.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.951 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.884 HD23 HG22 ' A' ' 66' ' ' THR . 0.4 OUTLIER -77.09 -18.57 57.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.9 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.7 mtm180 -77.32 -37.24 52.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.949 HD11 HD12 ' A' ' 65' ' ' ILE . 36.7 pt -80.58 -27.14 11.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.618 ' O ' HG23 ' A' ' 66' ' ' THR . . . 145.8 -36.43 1.33 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.538 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.949 HD12 HD11 ' A' ' 63' ' ' ILE . 53.5 mt -55.12 100.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 0.0 111.138 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.884 HG22 HD23 ' A' ' 61' ' ' LEU . 68.3 p -121.55 13.98 10.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.172 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -81.21 126.57 31.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.24 -32.15 69.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.082 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -79.44 -20.19 69.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.445 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 47.0 m170 -89.98 -45.74 8.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.777 0.322 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -54.05 -38.32 65.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -56.27 -25.86 49.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -85.59 -52.25 5.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.5 HG22 ' CD1' ' A' ' 78' ' ' ILE . 79.5 mt -53.77 -60.96 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.142 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.767 HD11 ' HB3' ' A' ' 57' ' ' SER . 47.4 mt -53.2 -41.66 65.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -58.73 -26.18 63.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.62 -48.72 6.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.5 ' CD1' HG22 ' A' ' 74' ' ' ILE . 78.3 mt -55.1 -46.46 77.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -56.32 -36.15 68.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.818 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.6 m -81.86 -26.44 34.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.838 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.671 ' HB3' HG22 ' A' ' 53' ' ' THR . 0.7 OUTLIER -69.79 -55.47 9.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.888 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.906 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 t -119.16 73.41 0.94 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.9 0.381 . . . . 0.0 110.878 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 m -145.77 156.12 43.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.66 57.95 1.57 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.01 127.5 55.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.893 0.378 . . . . 0.0 110.846 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 76.7 p -123.29 122.46 38.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.82 45.45 1.38 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.515 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.95 139.28 1.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.792 0.33 . . . . 0.0 110.824 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -77.72 160.56 74.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.589 0.709 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 95.02 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.637 2.225 . . . . 0.0 112.395 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -70.14 174.34 5.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 mp -99.0 172.11 7.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.37 111.55 18.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -83.74 -29.53 27.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.3 t -88.87 122.12 31.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.435 HG23 ' HD2' ' A' ' 17' ' ' PRO . 63.0 mt -104.85 133.08 20.34 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.646 0.736 . . . . 0.0 111.088 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.435 ' HD2' HG23 ' A' ' 16' ' ' ILE . 53.9 Cg_endo -69.71 178.99 3.99 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.738 2.292 . . . . 0.0 112.342 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -95.33 101.69 13.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.878 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -69.51 -26.53 64.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 47.7 p -93.22 42.48 1.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.16 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.25 27.48 3.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -115.71 -170.82 1.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.7 t -174.52 -40.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.07 159.04 40.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.432 HG21 ' O ' ' A' ' 46' ' ' PHE . 22.8 t -59.87 -47.77 90.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.15 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.402 ' OD1' HD11 ' A' ' 42' ' ' LEU . 8.9 m-20 -54.3 -38.23 65.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.32 -50.97 12.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.512 ' CB ' HD21 ' A' ' 49' ' ' LEU . 13.1 t90 -53.39 -55.61 23.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.569 HD12 ' HA ' ' A' ' 38' ' ' ARG . 73.1 mt -55.68 -36.82 67.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.8 t -69.8 -18.3 63.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.34 -6.79 56.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.136 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.496 HD11 HD23 ' A' ' 29' ' ' LEU . 11.1 pt -123.43 11.25 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt 67.19 12.66 9.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 87.0 mmm -105.05 22.79 14.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.412 HG22 ' HE ' ' A' ' 38' ' ' ARG . 0.5 OUTLIER -58.25 -21.64 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.158 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -55.52 -25.46 37.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.926 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -100.24 27.47 5.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.569 ' HA ' HD12 ' A' ' 29' ' ' LEU . 6.6 ptp180 -72.23 -25.75 61.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.86 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.579 ' O ' HG22 ' A' ' 43' ' ' THR . 1.9 m-20 -90.43 -27.53 19.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.744 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -62.82 -43.15 99.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.815 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.549 ' HD2' HD11 ' A' ' 29' ' ' LEU . 55.1 m-85 -77.37 -41.89 38.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.895 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.421 HD23 HG22 ' A' ' 47' ' ' THR . 19.2 mt -55.43 -60.5 3.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.579 HG22 ' O ' ' A' ' 39' ' ' ASP . 13.9 t -61.76 -30.44 70.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.88 -20.39 65.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.08 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.8 -17.04 20.67 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.516 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.432 ' O ' HG21 ' A' ' 25' ' ' VAL . 27.6 m-85 -83.14 88.33 6.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.37 . . . . 0.0 110.907 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.421 HG22 HD23 ' A' ' 42' ' ' LEU . 61.7 p -95.55 -25.02 16.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.176 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.2 m -114.03 137.88 51.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.512 HD21 ' CB ' ' A' ' 28' ' ' TRP . 20.2 mt -58.08 -28.75 64.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.927 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -54.29 -28.22 40.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 85.3 mt -89.41 -28.8 19.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.939 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 91.2 t -76.83 -25.92 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.171 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.642 HG22 ' HB3' ' A' ' 81' ' ' MET . 28.9 p -63.94 -25.2 68.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.114 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -102.7 26.32 8.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 35.7 mmt -103.0 -176.67 3.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.59 HG23 ' H ' ' A' ' 58' ' ' GLU . 14.6 t -150.0 173.77 13.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.165 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.653 ' HB3' HD11 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -52.08 -32.71 36.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.83 -179.859 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.59 ' H ' HG23 ' A' ' 56' ' ' THR . 36.5 mt-10 -61.11 -45.53 94.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -56.06 -33.03 64.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.4 mt -64.65 -42.35 95.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.572 HD23 HG22 ' A' ' 66' ' ' THR . 0.2 OUTLIER -74.74 -18.94 60.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.6 mtp85 -75.6 -39.27 58.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.873 HD11 HD12 ' A' ' 65' ' ' ILE . 37.7 pt -80.3 -27.57 11.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.091 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.585 ' O ' HG23 ' A' ' 66' ' ' THR . . . 146.32 -37.03 1.25 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.473 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.873 HD12 HD11 ' A' ' 63' ' ' ILE . 61.4 mt -51.57 103.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.894 0.378 . . . . 0.0 111.12 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 64' ' ' GLY . 71.4 p -124.08 25.11 7.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.615 HD22 ' CE1' ' A' ' 70' ' ' HIS . 0.2 OUTLIER -99.76 107.92 20.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.913 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.5 -34.25 61.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.084 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -75.26 -19.6 79.52 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.546 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.615 ' CE1' HD22 ' A' ' 67' ' ' LEU . 36.4 m170 -93.2 -42.19 9.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.756 0.313 . . . . 0.0 110.858 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -61.21 -27.23 68.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -27.37 68.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.0 tttp -86.24 -47.4 9.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.44 HG23 ' HH2' ' A' ' 28' ' ' TRP . 73.1 mt -56.11 -61.03 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.653 HD11 ' HB3' ' A' ' 57' ' ' SER . 29.9 mt -52.87 -40.24 63.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.67 -28.63 67.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.1 t -88.51 -50.66 6.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.888 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 69.2 mt -51.87 -47.69 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.087 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.656 ' O ' HG23 ' A' ' 83' ' ' VAL . 1.5 t-160 -54.41 -45.3 72.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.825 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.63 -27.12 61.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.642 ' HB3' HG22 ' A' ' 53' ' ' THR . 1.3 mtm -68.18 -57.91 5.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.857 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.99 -37.1 52.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 79' ' ' HIS . 89.8 t -66.61 -50.04 69.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -71.37 -74.31 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.4 pt -82.05 172.02 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 58.16 94.69 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -77.93 92.2 4.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.8 p -121.68 73.24 32.27 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.666 0.746 . . . . 0.0 110.872 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -176.38 1.46 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.646 2.231 . . . . 0.0 112.388 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 47.2 m -61.21 143.45 55.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.131 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -112.95 -55.94 2.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -72.47 90.94 1.35 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.919 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -159.83 -174.21 4.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.25 178.56 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.817 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -70.82 168.06 50.19 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.54 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -22.61 31.72 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.662 2.241 . . . . 0.0 112.345 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 m -144.42 118.41 9.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.864 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.28 -52.07 0.4 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.828 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.485 -179.949 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.34 111.89 16.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.856 0.36 . . . . 0.0 110.852 -179.727 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 p -170.51 162.65 8.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.04 70.12 1.09 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t -53.76 153.49 4.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.839 0.352 . . . . 0.0 110.88 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.8 t -60.32 112.04 1.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.846 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.78 141.97 7.9 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.14 140.93 58.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.854 0.359 . . . . 0.0 110.815 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -127.64 71.52 77.67 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.593 0.711 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 175.38 8.21 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.682 2.255 . . . . 0.0 112.308 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 pp -66.28 156.43 34.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.951 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.9 mt -128.02 104.27 7.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -107.52 -44.12 4.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.14 151.31 22.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.6 p -140.88 65.77 1.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.43 HG23 ' HD2' ' A' ' 17' ' ' PRO . 66.2 mt -85.37 133.09 43.09 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.662 0.744 . . . . 0.0 111.122 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.43 ' HD2' HG23 ' A' ' 16' ' ' ILE . 53.5 Cg_endo -69.75 -175.91 1.31 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.678 2.252 . . . . 0.0 112.363 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -100.8 108.5 20.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -73.91 -31.79 63.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.548 HG22 HG23 ' A' ' 85' ' ' ILE . 21.1 p -92.5 44.43 1.16 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.167 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.76 26.4 1.4 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.083 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -111.11 137.48 48.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.2 t -124.47 -36.21 2.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.148 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.5 p -130.01 135.98 48.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.174 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 89.1 t -51.6 -33.6 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.129 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -58.67 -34.67 71.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.51 -48.22 14.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.412 ' CH2' HG23 ' A' ' 74' ' ' ILE . 10.7 t90 -53.6 -56.87 13.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.593 HD11 ' CD2' ' A' ' 41' ' ' PHE . 92.3 mt -55.92 -35.56 66.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.2 t -69.66 -18.24 63.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.823 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.9 -7.5 55.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.071 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.588 HD11 HD23 ' A' ' 29' ' ' LEU . 10.6 pt -122.59 10.9 5.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.111 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.6 mttt 67.36 12.56 8.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 86.5 mmm -105.27 23.49 13.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.478 HG22 ' HE ' ' A' ' 38' ' ' ARG . 0.5 OUTLIER -58.88 -20.85 17.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.139 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -55.51 -25.37 36.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -100.72 27.6 5.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.957 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.505 ' HA ' HD12 ' A' ' 29' ' ' LEU . 7.6 ptp180 -72.91 -25.97 61.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.672 ' O ' HG22 ' A' ' 43' ' ' THR . 2.1 m-20 -87.9 -30.41 20.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.65 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.7 OUTLIER -58.19 -45.44 87.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.777 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.593 ' CD2' HD11 ' A' ' 29' ' ' LEU . 66.3 m-85 -73.35 -45.42 55.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 25.5 mt -52.38 -64.04 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.672 HG22 ' O ' ' A' ' 39' ' ' ASP . 10.0 t -55.75 -33.81 64.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.451 ' CB ' HG22 ' A' ' 63' ' ' ILE . . . -67.45 -19.94 65.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.093 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.82 -17.22 22.94 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -81.48 86.15 6.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.934 0.397 . . . . 0.0 110.883 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 75.7 p -88.53 -34.42 17.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.151 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 44.4 m -105.3 161.54 14.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.706 ' O ' HG23 ' A' ' 53' ' ' THR . 4.3 mm? -75.56 -31.21 59.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -53.79 -28.1 33.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.3 mt -88.4 -25.91 22.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.2 t -80.65 -30.26 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.086 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.706 HG23 ' O ' ' A' ' 49' ' ' LEU . 50.7 p -60.21 -24.46 64.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.193 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -101.32 26.03 7.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 33.8 mmt -106.38 -175.75 2.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.558 HG23 ' H ' ' A' ' 58' ' ' GLU . 14.5 t -151.76 174.1 13.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.154 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.704 ' HB3' HD11 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -51.99 -34.35 42.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.839 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.558 ' H ' HG23 ' A' ' 56' ' ' THR . 45.1 mt-10 -60.22 -47.51 85.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.921 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -55.41 -34.99 64.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 15.2 mt -61.2 -40.5 94.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.03 -19.25 60.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -75.49 -39.29 58.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.874 HD11 HD12 ' A' ' 65' ' ' ILE . 37.5 pt -80.0 -28.06 12.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.67 ' O ' HG23 ' A' ' 66' ' ' THR . . . 146.87 -37.01 1.2 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.486 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.874 HD12 HD11 ' A' ' 63' ' ' ILE . 61.0 mt -51.77 103.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.915 0.388 . . . . 0.0 111.088 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.67 HG23 ' O ' ' A' ' 64' ' ' GLY . 63.8 p -125.87 38.47 4.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.133 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.602 HD22 ' CE1' ' A' ' 70' ' ' HIS . 0.2 OUTLIER -113.93 106.99 15.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.9 -34.34 59.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.119 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -74.41 -20.57 79.56 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.465 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.602 ' CE1' HD22 ' A' ' 67' ' ' LEU . 37.4 m170 -92.51 -49.85 5.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.773 0.321 . . . . 0.0 110.843 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -52.88 -30.53 34.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -33.13 69.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.0 tttp -83.05 -40.9 19.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.57 HG22 ' CD1' ' A' ' 78' ' ' ILE . 80.2 mt -61.87 -60.74 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.704 HD11 ' HB3' ' A' ' 57' ' ' SER . 33.0 mt -52.71 -42.63 65.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.935 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -55.61 -26.2 42.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.31 -43.58 8.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.57 ' CD1' HG22 ' A' ' 74' ' ' ILE . 77.2 mt -58.6 -40.67 79.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.143 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.648 ' O ' HG23 ' A' ' 83' ' ' VAL . 1.8 t-160 -64.94 -45.34 86.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 14.8 t -70.66 -26.67 63.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.849 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.561 ' CE ' HD12 ' A' ' 49' ' ' LEU . 1.2 mtm -68.38 -58.93 3.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -52.09 -47.4 65.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.839 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 79' ' ' HIS . 93.6 t -54.91 -26.28 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.136 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -94.83 -73.98 0.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.548 HG23 HG22 ' A' ' 20' ' ' THR . 38.8 pt -85.15 155.23 3.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -171.41 124.12 0.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.32 144.89 44.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.936 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.5 m 55.85 70.28 1.58 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.707 0.765 . . . . 0.0 110.851 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 170.55 16.24 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.683 2.256 . . . . 0.0 112.38 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 16.1 p -89.39 165.86 14.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.167 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -131.99 176.82 8.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.106 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.66 173.74 7.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -56.18 117.61 3.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.087 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 59.7 p -116.62 175.37 5.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.8 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -79.67 171.04 54.53 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 176.56 6.68 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.66 2.24 . . . . 0.0 112.34 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.62 95.11 2.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.99 158.32 21.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.838 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 179.978 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 m -153.68 37.25 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.864 0.364 . . . . 0.0 110.851 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -71.73 135.56 46.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.48 165.41 28.71 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.524 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 m -119.9 -178.23 3.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 0.0 110.916 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 p -63.52 -47.32 82.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.43 -108.07 2.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.455 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -129.3 170.14 13.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.796 0.331 . . . . 0.0 110.879 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.97 71.07 75.11 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.567 0.699 . . . . 0.0 110.877 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 90.71 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.725 2.284 . . . . 0.0 112.35 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -86.31 159.74 19.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.962 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -137.5 151.44 48.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -98.62 82.06 2.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.818 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.11 159.64 20.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.7 p -110.76 59.42 0.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.839 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.44 HG23 ' HD2' ' A' ' 17' ' ' PRO . 63.5 mt -110.51 133.07 21.24 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.614 0.721 . . . . 0.0 111.092 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.44 ' HD2' HG23 ' A' ' 16' ' ' ILE . 53.6 Cg_endo -69.79 -177.63 1.97 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.67 2.247 . . . . 0.0 112.348 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.44 ' OD2' ' HB2' ' A' ' 21' ' ' ALA . 6.3 p-10 -95.88 129.08 43.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -95.44 22.98 6.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.8 p -121.59 30.35 6.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.44 ' HB2' ' OD2' ' A' ' 18' ' ' ASP . . . -122.04 25.63 8.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.083 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -109.18 177.7 4.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.0 t -165.72 -41.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.146 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -132.3 157.36 44.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.495 HG21 ' O ' ' A' ' 46' ' ' PHE . 58.9 t -56.96 -50.43 76.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.069 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -52.56 -34.49 50.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -76.99 -50.65 12.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.605 ' CZ3' HG11 ' A' ' 52' ' ' VAL . 13.1 t90 -55.47 -56.8 15.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.579 HD12 ' HA ' ' A' ' 38' ' ' ARG . 71.3 mt -55.6 -37.14 67.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.913 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.9 t -69.7 -18.23 63.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.39 -6.43 56.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.123 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.485 HD11 HD23 ' A' ' 29' ' ' LEU . 11.2 pt -124.01 11.38 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.1 mtmt 67.11 12.66 9.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.962 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 87.5 mmm -105.14 22.84 14.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.823 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.17 -21.86 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.148 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 28.2 pt20 -55.46 -25.48 36.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -100.03 27.51 5.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.579 ' HA ' HD12 ' A' ' 29' ' ' LEU . 3.8 ptp85 -71.79 -26.2 62.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.655 ' O ' HG22 ' A' ' 43' ' ' THR . 1.0 OUTLIER -90.88 -27.48 18.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.62 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -61.7 -43.31 99.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.79 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.556 ' HD2' HD11 ' A' ' 29' ' ' LEU . 59.1 m-85 -77.23 -41.65 40.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 26.9 mt -54.99 -60.05 3.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.655 HG22 ' O ' ' A' ' 39' ' ' ASP . 11.7 t -60.46 -33.21 72.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.182 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.448 ' CB ' HG22 ' A' ' 63' ' ' ILE . . . -64.54 -21.28 66.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.081 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 107.44 16.46 13.13 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.452 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.495 ' O ' HG21 ' A' ' 25' ' ' VAL . 27.6 m-85 -113.66 87.42 2.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.993 0.425 . . . . 0.0 110.846 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.9 p -97.6 -25.24 15.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.101 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.9 m -107.99 138.57 44.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.858 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.9 mt -59.78 -31.03 69.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -52.96 -30.43 34.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.957 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.6 mt -87.38 -26.26 23.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.605 HG11 ' CZ3' ' A' ' 28' ' ' TRP . 99.6 t -78.29 -23.02 13.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.163 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.528 HG22 ' HB3' ' A' ' 81' ' ' MET . 34.1 p -67.0 -21.25 65.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -105.5 25.66 10.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 26.2 mtp -96.09 162.57 13.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.456 HG23 ' H ' ' A' ' 58' ' ' GLU . 14.7 t -136.54 173.47 11.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.069 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.487 ' HA ' HD21 ' A' ' 75' ' ' LEU . 0.7 OUTLIER -52.37 -36.59 54.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.895 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.456 ' H ' HG23 ' A' ' 56' ' ' THR . 27.5 mt-10 -68.04 -32.05 72.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -68.17 -26.09 65.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.1 mt -74.65 -37.78 62.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.556 HD23 HG22 ' A' ' 66' ' ' THR . 0.2 OUTLIER -75.06 -18.93 60.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -75.72 -38.06 58.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.831 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.859 HD11 HD12 ' A' ' 65' ' ' ILE . 37.9 pt -81.65 -25.66 9.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.465 ' O ' HG23 ' A' ' 66' ' ' THR . . . 144.16 -37.16 1.43 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.475 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.859 HD12 HD11 ' A' ' 63' ' ' ILE . 64.6 mt -51.66 103.2 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.926 0.394 . . . . 0.0 111.102 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.556 HG22 HD23 ' A' ' 61' ' ' LEU . 45.3 p -124.67 33.9 5.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.103 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.92 106.16 15.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.2 -33.75 63.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -74.85 -19.6 79.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.517 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 34.1 m170 -93.8 -48.7 6.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.803 0.335 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -52.43 -30.5 29.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.68 -35.14 68.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -81.17 -38.66 26.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.431 HD13 HD13 ' A' ' 65' ' ' ILE . 66.6 mt -64.5 -62.66 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.134 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.487 HD21 ' HA ' ' A' ' 57' ' ' SER . 9.9 mt -52.81 -40.75 63.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 -57.69 -27.94 63.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.9 t -89.79 -40.0 12.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.431 ' CD1' HG22 ' A' ' 74' ' ' ILE . 75.8 mt -61.2 -46.14 97.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.628 ' O ' HG23 ' A' ' 83' ' ' VAL . 1.9 t-160 -60.97 -35.47 76.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.7 m -79.95 -26.45 40.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.528 ' HB3' HG22 ' A' ' 53' ' ' THR . 1.4 mtm -70.66 -55.34 8.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.13 -38.8 58.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 79' ' ' HIS . 93.0 t -65.16 -50.71 72.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.092 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -69.1 -73.95 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 49.2 pt -84.18 154.09 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.115 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -172.42 118.61 0.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 59.8 26.9 16.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.927 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.9 m -57.79 160.6 7.82 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.729 0.776 . . . . 0.0 110.852 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 95.47 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.666 2.244 . . . . 0.0 112.342 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.87 162.81 35.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -171.15 159.73 6.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.105 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -122.68 166.5 14.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -168.29 86.21 0.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.6 t -71.81 178.73 3.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -171.98 73.64 0.1 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.467 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 85.22 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.673 2.249 . . . . 0.0 112.328 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 35.7 t -169.97 81.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.804 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.6 t -89.8 -34.81 16.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.495 -179.986 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.0 p -135.75 -42.78 0.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.884 0.373 . . . . 0.0 110.844 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 m -127.02 47.92 2.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.882 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.72 133.59 8.1 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.62 -28.87 57.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.864 0.364 . . . . 0.0 110.849 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 p -106.74 174.52 5.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.44 157.05 15.67 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.443 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.2 p -109.63 -45.85 3.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.782 0.325 . . . . 0.0 110.855 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.1 mp0 53.31 68.99 2.5 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.545 0.688 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -172.63 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.726 2.284 . . . . 0.0 112.34 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -112.67 -176.73 2.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.935 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 pp -149.7 123.96 9.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 60.95 -172.64 0.14 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.5 -172.7 3.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.22 170.39 9.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.434 HG23 ' HD2' ' A' ' 17' ' ' PRO . 67.0 mt -66.54 133.09 94.24 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.6 0.714 . . . . 0.0 111.165 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.434 ' HD2' HG23 ' A' ' 16' ' ' ILE . 53.3 Cg_endo -69.83 -178.57 2.43 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.678 2.252 . . . . 0.0 112.324 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.9 114.05 25.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.857 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -78.73 -29.73 45.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.628 HG22 HG23 ' A' ' 85' ' ' ILE . 20.9 p -92.33 44.63 1.17 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.9 25.94 1.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.137 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -112.24 137.39 50.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.5 t -124.48 -36.12 2.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.17 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 37.4 p -127.2 134.35 50.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.445 HG21 ' O ' ' A' ' 46' ' ' PHE . 96.5 t -51.66 -31.85 13.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.155 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -60.95 -35.35 76.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -76.65 -50.79 12.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.439 ' CE3' HD11 ' A' ' 49' ' ' LEU . 12.7 t90 -52.86 -56.08 18.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.922 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.604 HD12 ' HA ' ' A' ' 38' ' ' ARG . 64.8 mt -55.7 -36.59 67.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.8 t -69.87 -18.36 63.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.32 -6.16 56.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.08 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.5 HD11 HD23 ' A' ' 29' ' ' LEU . 10.9 pt -124.19 11.17 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.156 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.0 mttt 67.37 12.52 8.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 84.8 mmm -104.97 22.62 14.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -57.8 -22.13 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.101 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -55.44 -25.41 36.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -100.31 27.61 5.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.604 ' HA ' HD12 ' A' ' 29' ' ' LEU . 3.4 ptp85 -72.15 -26.51 62.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.634 ' O ' HG22 ' A' ' 43' ' ' THR . 0.5 OUTLIER -87.97 -30.5 19.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.596 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.7 OUTLIER -58.58 -45.42 89.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.83 -179.764 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.478 ' HD2' HD11 ' A' ' 29' ' ' LEU . 64.9 m-85 -77.39 -42.65 35.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.8 mt -54.37 -62.8 1.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.634 HG22 ' O ' ' A' ' 39' ' ' ASP . 14.7 t -57.46 -30.95 65.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.51 -19.95 64.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 111.61 -17.39 25.71 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.503 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.445 ' O ' HG21 ' A' ' 25' ' ' VAL . 25.6 m-85 -78.4 77.56 4.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.922 0.391 . . . . 0.0 110.912 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 58.1 p -84.71 -32.0 23.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 m -107.82 134.89 50.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.496 HD12 ' CE ' ' A' ' 81' ' ' MET . 4.3 mm? -52.75 -29.37 26.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.932 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -53.05 -28.92 26.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.9 mt -89.15 -26.1 21.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.419 HG11 ' CZ3' ' A' ' 28' ' ' TRP . 93.4 t -77.94 -30.29 16.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.611 HG22 ' HB3' ' A' ' 81' ' ' MET . 32.4 p -60.82 -24.36 65.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -101.21 25.7 7.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 39.0 mmt -105.47 -178.03 3.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.486 HG23 ' H ' ' A' ' 58' ' ' GLU . 14.5 t -152.26 174.49 13.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.127 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.702 ' N ' HD21 ' A' ' 75' ' ' LEU . 0.2 OUTLIER -52.09 -37.08 52.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.837 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.486 ' H ' HG23 ' A' ' 56' ' ' THR . 58.0 mt-10 -61.35 -42.13 98.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.886 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -61.64 -29.06 69.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.5 mt -67.61 -36.86 81.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.01 -18.95 59.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -76.48 -38.1 55.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.903 HD11 HD12 ' A' ' 65' ' ' ILE . 37.0 pt -80.44 -27.76 11.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.094 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.649 ' O ' HG23 ' A' ' 66' ' ' THR . . . 146.46 -36.8 1.25 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.464 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.903 HD12 HD11 ' A' ' 63' ' ' ILE . 59.3 mt -52.94 102.26 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.93 0.395 . . . . 0.0 111.124 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.649 HG23 ' O ' ' A' ' 64' ' ' GLY . 59.4 p -123.22 39.0 4.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.124 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.24 111.42 20.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.947 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.22 -30.39 69.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -79.68 -20.31 68.85 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.49 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 34.7 m170 -93.94 -37.98 11.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.723 0.297 . . . . 0.0 110.847 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -61.49 -32.57 72.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.05 -38.19 64.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -74.78 -45.85 40.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.534 HG22 ' CD1' ' A' ' 78' ' ' ILE . 75.6 mt -57.67 -62.33 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.702 HD21 ' N ' ' A' ' 57' ' ' SER . 12.1 mt -53.44 -39.82 64.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -58.45 -26.31 63.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.56 -40.73 10.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.858 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.534 ' CD1' HG22 ' A' ' 74' ' ' ILE . 79.2 mt -63.43 -45.08 98.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.643 ' O ' HG23 ' A' ' 83' ' ' VAL . 2.5 t-160 -56.9 -39.16 73.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.57 -26.45 34.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.611 ' HB3' HG22 ' A' ' 53' ' ' THR . 0.5 OUTLIER -68.92 -47.98 64.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.861 179.906 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.46 -40.78 95.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 79' ' ' HIS . 92.6 t -62.17 -25.3 37.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -94.67 -71.46 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.628 HG23 HG22 ' A' ' 20' ' ' THR . 31.3 pt -88.15 168.82 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.96 99.87 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -109.65 166.57 10.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.37 160.57 27.93 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.677 0.751 . . . . 0.0 110.889 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 116.32 4.5 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.72 2.28 . . . . 0.0 112.326 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.31 164.74 14.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.128 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -142.54 152.05 42.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 4.0 ttp 57.62 72.02 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -100.47 39.89 1.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.61 88.12 2.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.809 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 100.75 171.49 29.02 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.512 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -171.88 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.711 2.274 . . . . 0.0 112.328 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.06 172.46 12.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.4 t -137.03 154.23 50.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.5 -179.974 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.05 172.54 6.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.869 0.366 . . . . 0.0 110.857 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.4 p -74.11 -178.15 3.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.76 -146.27 18.04 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.45 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.6 t -149.11 -68.54 0.21 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.839 0.352 . . . . 0.0 110.874 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.84 -49.59 1.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.03 131.7 1.44 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.455 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.3 m 57.93 81.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.805 0.336 . . . . 0.0 110.866 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -129.93 71.92 82.06 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.521 0.677 . . . . 0.0 110.926 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 105.62 1.51 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.65 2.233 . . . . 0.0 112.354 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 40.3 mt -71.74 155.88 39.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -163.77 153.95 15.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.15 -74.09 0.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 58.32 74.49 0.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.5 m -134.99 84.6 2.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.439 HG23 ' HD2' ' A' ' 17' ' ' PRO . 67.5 mt -101.52 133.07 21.06 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.64 0.733 . . . . 0.0 111.144 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.439 ' HD2' HG23 ' A' ' 16' ' ' ILE . 53.7 Cg_endo -69.78 -171.87 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.663 2.242 . . . . 0.0 112.36 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -107.43 123.53 48.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.827 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -94.16 -26.04 16.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.742 HG22 HG23 ' A' ' 85' ' ' ILE . 23.2 p -92.1 44.5 1.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.089 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.73 24.99 1.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.072 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -104.84 -175.32 2.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.2 t -169.09 -38.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.1 p -130.61 135.9 48.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 98.9 t -51.63 -30.03 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.617 ' OD2' HD11 ' A' ' 42' ' ' LEU . 1.1 m-20 -62.84 -36.38 83.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.46 -49.29 13.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.454 ' CE3' HD11 ' A' ' 49' ' ' LEU . 11.8 t90 -52.72 -56.68 13.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.631 HD12 ' HA ' ' A' ' 38' ' ' ARG . 59.4 mt -55.79 -36.73 67.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.0 t -69.29 -17.89 63.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.14 -8.25 54.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.144 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.498 HD11 HD23 ' A' ' 29' ' ' LEU . 10.3 pt -121.98 11.22 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.203 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt 67.13 12.76 9.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.937 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 86.9 mmm -105.39 23.3 13.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.56 -21.34 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.134 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -55.46 -25.62 37.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -101.03 27.69 5.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.631 ' HA ' HD12 ' A' ' 29' ' ' LEU . 3.5 ptp85 -71.59 -26.04 62.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.624 ' O ' HG22 ' A' ' 43' ' ' THR . 1.1 m-20 -87.42 -32.39 19.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.588 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.2 OUTLIER -56.44 -46.73 80.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 -179.774 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.481 ' HD2' HD11 ' A' ' 29' ' ' LEU . 66.0 m-85 -75.23 -42.42 55.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.617 HD11 ' OD2' ' A' ' 26' ' ' ASP . 19.5 mt -55.74 -62.87 1.4 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.624 HG22 ' O ' ' A' ' 39' ' ' ASP . 14.8 t -57.74 -31.04 66.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.158 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.83 -20.04 65.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.107 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.88 -17.49 22.6 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.495 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -80.4 85.55 5.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.957 0.408 . . . . 0.0 110.887 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 44.8 p -92.67 -26.71 17.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.6 m -113.05 134.23 54.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.525 HD12 ' CE ' ' A' ' 81' ' ' MET . 4.3 mm? -53.31 -28.79 30.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.39 -29.76 25.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 81.1 mt -90.08 -25.93 20.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.955 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 92.6 t -77.11 -27.63 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.122 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.52 HG23 ' O ' ' A' ' 49' ' ' LEU . 70.4 p -63.17 -24.82 68.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -101.71 25.76 8.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 35.6 mmt -102.88 -176.18 3.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.5 t -153.2 174.26 14.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.147 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.636 ' HA ' HD21 ' A' ' 75' ' ' LEU . 0.4 OUTLIER -52.0 -42.45 62.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.883 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -57.16 -46.43 82.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -55.18 -28.55 53.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.6 mt -68.49 -37.47 80.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.464 ' HG ' HG22 ' A' ' 66' ' ' THR . 0.1 OUTLIER -75.54 -19.01 59.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.888 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.3 mtp85 -75.92 -38.82 57.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.888 HD11 HD12 ' A' ' 65' ' ' ILE . 36.9 pt -80.15 -27.56 12.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.527 ' O ' HG23 ' A' ' 66' ' ' THR . . . 146.12 -36.83 1.28 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.529 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.888 HD12 HD11 ' A' ' 63' ' ' ILE . 61.3 mt -52.22 102.78 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.914 0.387 . . . . 0.0 111.135 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.527 HG23 ' O ' ' A' ' 64' ' ' GLY . 73.8 p -124.21 38.53 4.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.175 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.13 104.96 11.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.25 -34.6 61.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.058 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -72.61 -20.77 79.72 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -94.17 -41.63 9.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.737 0.303 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -59.52 -29.71 68.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.961 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.28 -32.06 66.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.9 tttt -83.49 -45.16 13.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.447 HG22 ' CD1' ' A' ' 78' ' ' ILE . 78.8 mt -57.75 -60.45 2.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.185 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.636 HD21 ' HA ' ' A' ' 57' ' ' SER . 37.0 mt -52.77 -41.96 64.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -55.53 -26.35 42.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.5 t -94.09 -49.65 5.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.847 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.447 ' CD1' HG22 ' A' ' 74' ' ' ILE . 62.2 mt -53.06 -34.42 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.636 ' O ' HG23 ' A' ' 83' ' ' VAL . 6.0 t-160 -71.5 -47.67 53.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.7 m -67.21 -26.26 66.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.525 ' CE ' HD12 ' A' ' 49' ' ' LEU . 1.4 mtm -68.28 -57.95 5.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.857 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -55.29 -42.84 74.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 79' ' ' HIS . 98.0 t -60.07 -25.25 32.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.098 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -95.96 -74.45 0.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.742 HG23 HG22 ' A' ' 20' ' ' THR . 49.3 pt -78.92 -176.09 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.126 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.1 t 61.95 58.1 1.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 52.46 83.44 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.7 t -171.96 70.27 0.45 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.648 0.737 . . . . 0.0 110.816 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.86 138.54 37.74 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.695 2.263 . . . . 0.0 112.305 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -80.74 -74.8 0.3 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -179.14 128.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.104 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -32.06 67.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -162.38 102.39 1.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.112 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.4 t -94.55 85.76 4.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.06 -176.24 54.63 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.476 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 93.58 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.689 2.259 . . . . 0.0 112.333 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.05 119.45 28.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.35 147.45 4.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.874 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.441 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -138.95 114.85 10.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.819 0.343 . . . . 0.0 110.84 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m 63.11 82.53 0.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.821 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.54 122.32 3.38 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.473 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t 62.38 -178.5 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.915 0.388 . . . . 0.0 110.82 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.04 146.39 28.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.876 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.54 128.36 1.2 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.484 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.5 m 54.81 51.41 13.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.856 0.36 . . . . 0.0 110.844 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 28.6 mm100 -118.24 73.12 9.99 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.56 0.695 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 126.02 12.81 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.674 2.249 . . . . 0.0 112.326 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.64 167.93 9.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.37 30.5 7.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -92.24 64.27 4.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 32.7 mtm-85 -84.81 84.6 7.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.93 156.48 9.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.431 HG23 ' HD2' ' A' ' 17' ' ' PRO . 57.1 mt -91.73 133.05 31.54 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.593 0.711 . . . . 0.0 111.144 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.431 ' HD2' HG23 ' A' ' 16' ' ' ILE . 53.6 Cg_endo -69.78 -171.11 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.702 2.268 . . . . 0.0 112.357 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -96.49 125.86 41.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -93.98 -26.04 16.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.522 HG22 HG23 ' A' ' 85' ' ' ILE . 52.4 p -90.36 63.97 5.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.128 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -159.51 24.49 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -111.68 137.05 50.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.4 t -123.13 -42.41 2.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.104 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.4 p -122.81 135.78 54.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.138 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.519 HG21 ' O ' ' A' ' 46' ' ' PHE . 98.4 t -51.89 -30.9 12.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -61.29 -34.86 75.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.01 -50.19 12.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.445 ' CE3' HD11 ' A' ' 49' ' ' LEU . 12.6 t90 -52.92 -56.43 15.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.613 HD12 ' HA ' ' A' ' 38' ' ' ARG . 62.1 mt -55.62 -36.48 67.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.944 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.8 t -69.95 -18.41 63.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.44 -5.44 57.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.128 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.512 HD11 HD23 ' A' ' 29' ' ' LEU . 10.5 pt -124.82 11.04 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.146 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt 67.54 12.44 8.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 81.0 mmm -104.92 22.68 14.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.414 HG22 ' HE ' ' A' ' 38' ' ' ARG . 0.6 OUTLIER -58.16 -21.93 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -55.55 -25.3 37.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -100.77 27.52 5.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.613 ' HA ' HD12 ' A' ' 29' ' ' LEU . 7.8 ptp180 -72.6 -26.85 61.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.638 ' O ' HG22 ' A' ' 43' ' ' THR . 1.0 OUTLIER -90.33 -26.46 19.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.796 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -63.25 -42.52 99.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.786 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.518 ' HD2' HD11 ' A' ' 29' ' ' LEU . 56.8 m-85 -78.52 -43.55 26.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.475 HD12 ' O ' ' A' ' 38' ' ' ARG . 13.7 mt -52.01 -60.91 2.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.638 HG22 ' O ' ' A' ' 39' ' ' ASP . 12.6 t -60.2 -32.85 71.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.66 -21.3 66.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.063 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 108.48 17.09 10.94 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.474 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.519 ' O ' HG21 ' A' ' 25' ' ' VAL . 28.0 m-85 -113.87 73.6 0.83 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.952 0.406 . . . . 0.0 110.879 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 48.3 p -78.51 -32.71 48.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.155 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.5 m -110.1 147.19 34.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.828 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.546 HD12 ' CE ' ' A' ' 81' ' ' MET . 4.3 mm? -63.43 -27.61 69.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.38 -27.39 36.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 66.1 mt -89.75 -25.87 20.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.5 t -80.98 -28.38 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.103 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.557 HG22 ' HB3' ' A' ' 81' ' ' MET . 38.3 p -62.12 -24.8 67.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.169 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -101.29 25.71 7.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 36.5 mmt -104.45 -175.98 2.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.664 HG23 ' H ' ' A' ' 58' ' ' GLU . 14.5 t -151.21 174.01 13.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.158 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.733 ' HB3' HD11 ' A' ' 75' ' ' LEU . 0.4 OUTLIER -52.02 -30.17 24.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.867 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.664 ' H ' HG23 ' A' ' 56' ' ' THR . 6.5 mt-10 -64.35 -41.45 96.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.859 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -59.88 -36.92 77.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.853 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 19.7 mt -63.95 -41.89 97.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.845 HD23 HG22 ' A' ' 66' ' ' THR . 0.4 OUTLIER -75.38 -19.42 59.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.898 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -74.87 -40.23 61.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.886 HD11 HD12 ' A' ' 65' ' ' ILE . 34.4 pt -78.91 -28.21 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.549 ' O ' HG23 ' A' ' 66' ' ' THR . . . 146.64 -36.58 1.24 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.537 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.886 HD12 HD11 ' A' ' 63' ' ' ILE . 60.0 mt -52.35 102.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.912 0.387 . . . . 0.0 111.137 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.845 HG22 HD23 ' A' ' 61' ' ' LEU . 76.4 p -123.78 13.97 9.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -81.63 111.49 17.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.22 -40.95 68.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.082 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -71.7 -19.99 78.32 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.501 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.3 m170 -87.39 -48.64 7.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.756 0.312 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -53.8 -35.06 60.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -25.88 64.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -88.98 -47.07 8.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.506 HG22 ' CD1' ' A' ' 78' ' ' ILE . 75.6 mt -60.69 -59.86 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.073 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.733 HD11 ' HB3' ' A' ' 57' ' ' SER . 58.8 mt -53.02 -41.96 65.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.942 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -58.96 -26.69 64.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.96 -41.76 10.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.886 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.506 ' CD1' HG22 ' A' ' 74' ' ' ILE . 80.8 mt -64.62 -43.9 96.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.129 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.625 ' O ' HG23 ' A' ' 83' ' ' VAL . 2.9 t-160 -60.29 -39.25 86.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.832 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.6 m -79.91 -26.57 40.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.557 ' HB3' HG22 ' A' ' 53' ' ' THR . 0.5 OUTLIER -68.11 -56.0 10.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.929 179.917 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -53.16 -42.32 66.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 79' ' ' HIS . 92.0 t -60.75 -25.29 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -96.12 -74.45 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.522 HG23 HG22 ' A' ' 20' ' ' THR . 18.7 pt -81.63 -179.48 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.5 t 57.91 41.76 24.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.35 150.54 48.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.2 m -155.78 70.19 5.25 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.634 0.731 . . . . 0.0 110.87 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 122.31 8.98 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.691 2.26 . . . . 0.0 112.334 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.1 m -82.08 -28.54 32.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.164 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 59.4 76.84 0.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.065 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -122.62 166.33 15.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -89.6 118.03 28.92 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 68.8 m -136.99 95.44 3.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -151.62 71.69 0.29 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.452 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 91.44 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.714 2.276 . . . . 0.0 112.33 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 30.7 t -72.34 127.55 32.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.85 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 20.4 m -135.15 152.32 51.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 -179.963 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -62.96 136.48 57.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.852 0.358 . . . . 0.0 110.844 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.86 156.04 20.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.859 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.31 164.74 10.52 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.462 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 t -167.66 157.68 10.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.899 0.381 . . . . 0.0 110.847 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -170.25 145.9 2.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.836 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.79 -153.82 24.2 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.466 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.8 t -145.7 37.54 1.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.838 0.352 . . . . 0.0 110.877 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -117.2 72.55 6.64 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.631 0.729 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -177.64 1.96 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.717 2.278 . . . . 0.0 112.364 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 56.11 -174.74 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.957 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 32.8 mt 54.8 35.0 23.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -88.14 109.91 20.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.82 37.2 2.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 t 54.03 50.32 16.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.45 HG23 ' HD2' ' A' ' 17' ' ' PRO . 41.3 mm -56.84 133.16 79.18 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.605 0.716 . . . . 0.0 111.094 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.45 ' HD2' HG23 ' A' ' 16' ' ' ILE . 53.9 Cg_endo -69.79 -171.32 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.67 2.247 . . . . 0.0 112.313 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.01 127.76 53.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -98.48 -27.0 14.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.752 HG22 HG23 ' A' ' 85' ' ' ILE . 20.3 p -91.91 44.61 1.18 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.184 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.42 25.08 1.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.072 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -104.55 -175.3 2.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.0 t -168.33 -38.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.13 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.4 p -129.71 135.11 48.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.152 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.1 t -51.74 -30.43 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -62.42 -35.96 80.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.61 -49.33 13.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.557 ' CZ3' HG11 ' A' ' 52' ' ' VAL . 11.8 t90 -52.37 -57.03 11.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.621 HD12 ' HA ' ' A' ' 38' ' ' ARG . 60.2 mt -55.79 -36.52 67.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.957 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.0 t -69.38 -18.13 63.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.92 -8.09 54.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.102 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.507 HD11 HD23 ' A' ' 29' ' ' LEU . 10.3 pt -122.19 11.23 5.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.9 mttt 67.14 12.71 9.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 88.0 mmm -105.32 23.27 13.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.9 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.464 HG22 ' HE ' ' A' ' 38' ' ' ARG . 0.5 OUTLIER -58.51 -21.7 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -55.42 -25.49 36.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -100.95 27.79 5.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.621 ' HA ' HD12 ' A' ' 29' ' ' LEU . 7.7 ptp180 -73.05 -27.35 61.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.666 ' O ' HG22 ' A' ' 43' ' ' THR . 0.6 OUTLIER -88.86 -27.66 20.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.627 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -61.21 -40.83 95.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.803 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.567 ' HD2' HD11 ' A' ' 29' ' ' LEU . 62.1 m-85 -78.78 -43.53 25.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 34.6 mt -53.08 -60.42 3.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.666 HG22 ' O ' ' A' ' 39' ' ' ASP . 9.8 t -56.64 -35.31 68.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.9 -20.08 65.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.091 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.04 -16.9 22.61 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.518 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -77.32 89.36 3.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.924 0.392 . . . . 0.0 110.868 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 63.8 p -99.46 -24.91 14.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.154 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.7 m -115.17 133.42 56.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.616 HD12 ' CE ' ' A' ' 81' ' ' MET . 4.3 mm? -53.05 -28.85 26.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.929 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.12 -29.88 23.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 75.4 mt -91.09 -25.64 19.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.557 HG11 ' CZ3' ' A' ' 28' ' ' TRP . 96.0 t -75.68 -24.04 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.151 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.695 HG22 ' HB3' ' A' ' 81' ' ' MET . 51.7 p -69.19 -22.41 63.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -100.7 20.8 14.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.552 ' HE3' HG13 ' A' ' 52' ' ' VAL . 8.2 mtm -100.05 177.55 5.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.463 HG23 ' H ' ' A' ' 58' ' ' GLU . 14.0 t -149.86 175.22 11.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.106 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.711 ' HA ' HD21 ' A' ' 75' ' ' LEU . 4.1 t -51.91 -38.73 57.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.463 ' H ' HG23 ' A' ' 56' ' ' THR . 37.7 mt-10 -60.49 -32.91 71.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.873 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -70.86 -29.28 65.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.5 mt -68.63 -40.07 80.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.474 HD23 HG22 ' A' ' 66' ' ' THR . 0.2 OUTLIER -75.17 -19.14 60.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.924 179.907 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -75.52 -38.21 59.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.873 HD11 HD12 ' A' ' 65' ' ' ILE . 37.9 pt -81.42 -26.19 10.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.571 ' O ' HG23 ' A' ' 66' ' ' THR . . . 144.84 -37.22 1.36 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.413 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.873 HD12 HD11 ' A' ' 63' ' ' ILE . 63.5 mt -51.65 103.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.903 0.383 . . . . 0.0 111.136 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.571 HG23 ' O ' ' A' ' 64' ' ' GLY . 72.8 p -124.69 27.55 6.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.138 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.33 105.47 16.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.93 -34.62 60.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -74.96 -19.61 79.85 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.463 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 36.5 m170 -92.75 -48.37 6.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.805 0.336 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -51.97 -34.29 41.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -52.64 -33.24 45.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -81.26 -52.74 7.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.44 HD13 HD13 ' A' ' 65' ' ' ILE . 51.5 mt -54.84 -58.98 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.711 HD21 ' HA ' ' A' ' 57' ' ' SER . 22.0 mt -53.07 -42.86 66.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -59.16 -26.08 64.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.25 -41.21 12.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 61.6 mt -65.96 -39.48 84.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.129 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.612 ' O ' HG23 ' A' ' 83' ' ' VAL . 1.7 t-160 -64.96 -32.41 74.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.9 t -86.87 -26.48 23.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.695 ' HB3' HG22 ' A' ' 53' ' ' THR . 0.6 OUTLIER -70.39 -42.88 71.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -66.03 -42.27 89.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 79' ' ' HIS . 99.9 t -61.64 -25.36 36.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.084 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -95.31 -72.85 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.752 HG23 HG22 ' A' ' 20' ' ' THR . 11.4 pt -88.61 175.13 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.158 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.4 t 62.92 63.07 0.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -69.11 97.43 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.3 m -150.61 70.43 8.85 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.653 0.74 . . . . 0.0 110.865 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 107.17 1.8 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.699 2.266 . . . . 0.0 112.312 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.02 98.58 8.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 58.31 94.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.092 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -126.27 -47.27 1.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -105.69 53.45 0.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.08 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.78 142.03 31.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -97.71 -173.56 33.51 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.495 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -37.39 9.24 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.671 2.247 . . . . 0.0 112.36 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 31.9 p -103.27 102.13 12.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.819 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.56 -36.34 3.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.83 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.463 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.0 m -148.57 108.09 3.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.836 0.351 . . . . 0.0 110.89 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.3 m -84.13 114.31 21.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.54 -51.09 0.1 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.473 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.9 m -55.88 -32.64 63.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.0 110.889 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.4 t -167.82 162.42 13.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.86 37.25 8.63 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.504 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.3 m -144.94 104.56 4.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.33 . . . . 0.0 110.822 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -116.38 71.41 4.67 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.577 0.703 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 171.64 14.1 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.66 2.24 . . . . 0.0 112.351 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.3 mt -107.14 138.86 42.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.46 108.44 19.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -128.29 57.44 1.57 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -78.22 176.34 9.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.47 112.38 9.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.45 HG23 ' HD2' ' A' ' 17' ' ' PRO . 41.4 mm -73.94 133.2 79.18 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.623 0.725 . . . . 0.0 111.143 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.45 ' HD2' HG23 ' A' ' 16' ' ' ILE . 54.1 Cg_endo -69.75 -173.78 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.685 2.257 . . . . 0.0 112.348 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -97.37 110.43 22.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -77.76 -26.31 49.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.6 p -94.39 38.44 1.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.86 25.39 5.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.121 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -113.73 175.94 5.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.5 t -157.37 -42.22 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.121 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -133.04 159.38 40.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.441 HG21 ' O ' ' A' ' 46' ' ' PHE . 78.2 t -57.77 -48.43 83.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.098 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.554 ' OD1' HD11 ' A' ' 42' ' ' LEU . 5.8 m-20 -52.17 -38.09 56.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.29 -50.46 14.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.579 ' CB ' HD21 ' A' ' 49' ' ' LEU . 13.4 t90 -53.49 -55.99 20.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.608 HD12 ' HA ' ' A' ' 38' ' ' ARG . 61.0 mt -55.72 -36.59 67.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.3 t -70.22 -17.69 63.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.06 -7.05 54.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.101 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.506 HD11 HD23 ' A' ' 29' ' ' LEU . 11.4 pt -123.14 11.51 5.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.106 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt 67.03 12.85 9.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 87.8 mmm -105.15 22.63 15.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.87 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.42 HG22 ' HE ' ' A' ' 38' ' ' ARG . 0.5 OUTLIER -57.99 -22.11 18.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.169 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -55.6 -25.43 38.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -100.54 27.44 5.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.942 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.608 ' HA ' HD12 ' A' ' 29' ' ' LEU . 7.9 ptp180 -72.58 -25.99 61.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.601 ' O ' HG22 ' A' ' 43' ' ' THR . 2.3 m-20 -88.8 -28.28 20.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.678 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -62.53 -43.56 98.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.787 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.583 ' HD2' HD11 ' A' ' 29' ' ' LEU . 56.0 m-85 -77.03 -42.91 36.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.554 HD11 ' OD1' ' A' ' 26' ' ' ASP . 25.7 mt -55.21 -54.57 41.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.601 HG22 ' O ' ' A' ' 39' ' ' ASP . 14.6 t -67.31 -30.77 70.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.28 -20.26 65.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.085 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.54 -16.73 23.91 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.494 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.441 ' O ' HG21 ' A' ' 25' ' ' VAL . 26.9 m-85 -83.71 88.91 7.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.942 0.401 . . . . 0.0 110.906 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 48.6 p -99.63 -25.32 14.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.133 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 m -107.18 136.5 46.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.579 HD21 ' CB ' ' A' ' 28' ' ' TRP . 13.4 mt -59.41 -31.52 69.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -54.05 -27.87 35.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 85.6 mt -89.65 -26.23 20.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.504 HG13 ' HE3' ' A' ' 55' ' ' MET . 93.7 t -73.98 -24.66 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.124 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.581 HG22 ' HB3' ' A' ' 81' ' ' MET . 66.9 p -66.67 -23.67 66.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -99.54 22.26 11.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.504 ' HE3' HG13 ' A' ' 52' ' ' VAL . 11.6 mtm -105.83 165.24 11.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.679 HG23 ' H ' ' A' ' 58' ' ' GLU . 14.3 t -136.87 174.56 10.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.17 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.691 ' HB3' HD11 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -52.08 -30.13 24.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.818 -179.819 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.679 ' H ' HG23 ' A' ' 56' ' ' THR . 29.6 mt-10 -66.28 -39.3 89.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.42 -29.31 70.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.906 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.41 HD12 ' HG2' ' A' ' 71' ' ' GLN . 9.5 mt -68.22 -38.3 81.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.482 HD23 HG22 ' A' ' 66' ' ' THR . 0.1 OUTLIER -75.12 -19.15 60.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.887 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -75.58 -38.25 59.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.872 HD11 HD12 ' A' ' 65' ' ' ILE . 37.9 pt -81.35 -26.13 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.167 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.59 ' O ' HG23 ' A' ' 66' ' ' THR . . . 144.65 -37.03 1.39 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.531 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.872 HD12 HD11 ' A' ' 63' ' ' ILE . 63.9 mt -51.77 103.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.908 0.385 . . . . 0.0 111.121 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.59 HG23 ' O ' ' A' ' 64' ' ' GLY . 67.5 p -124.1 25.37 7.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.72 106.36 18.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.45 -37.92 63.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.078 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -72.4 -20.56 79.41 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.1 m170 -90.67 -42.55 10.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.726 0.298 . . . . 0.0 110.849 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.41 ' HG2' HD12 ' A' ' 60' ' ' LEU . 65.4 mt-30 -57.45 -33.45 67.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.67 -30.32 55.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.892 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.0 tttt -82.89 -47.51 11.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.474 HG23 ' HH2' ' A' ' 28' ' ' TRP . 69.0 mt -58.61 -59.24 3.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.131 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.691 HD11 ' HB3' ' A' ' 57' ' ' SER . 47.7 mt -53.4 -44.83 69.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 -55.66 -26.17 43.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.41 -51.91 5.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.826 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 62.0 mt -51.8 -36.01 18.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.64 ' O ' HG23 ' A' ' 83' ' ' VAL . 2.4 t-160 -70.38 -36.12 73.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.0 m -77.73 -26.93 50.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.581 ' HB3' HG22 ' A' ' 53' ' ' THR . 3.5 mtm -70.92 -54.84 9.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.83 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -52.31 -36.79 54.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 79' ' ' HIS . 90.3 t -66.98 -49.32 74.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -72.36 -73.83 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 39.4 pt -83.24 166.05 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -178.95 -62.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 56.5 88.36 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.52 160.52 30.29 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.665 0.745 . . . . 0.0 110.878 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -17.92 37.47 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.686 2.257 . . . . 0.0 112.349 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -94.73 138.02 33.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.145 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -119.61 158.91 25.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.112 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 1.5 mtp 58.13 -179.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 55.34 63.74 1.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.08 91.97 2.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 56.4 67.92 1.96 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.498 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -38.43 7.74 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.69 2.26 . . . . 0.0 112.371 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.5 t -75.74 -56.11 5.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.8 t 60.26 46.09 10.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.469 179.987 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.42 -0.272 . . . . 0.0 112.42 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 56.46 43.53 25.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.89 0.376 . . . . 0.0 110.856 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.83 117.22 4.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.832 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.05 90.73 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.529 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 m -109.18 167.12 10.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.902 0.382 . . . . 0.0 110.835 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 t -54.79 156.8 3.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.845 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.4 114.31 0.6 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.503 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.7 m -125.12 148.28 48.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.847 0.356 . . . . 0.0 110.814 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -57.03 160.57 5.99 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.639 0.733 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -172.33 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.692 2.261 . . . . 0.0 112.335 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 36.8 mt -56.78 170.29 0.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -95.18 39.67 1.11 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.71 62.84 0.86 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.04 -49.16 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.8 m -150.0 102.24 3.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.44 HG23 ' HD2' ' A' ' 17' ' ' PRO . 63.8 mt -73.56 133.11 80.4 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.628 0.727 . . . . 0.0 111.085 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.44 ' HD2' HG23 ' A' ' 16' ' ' ILE . 53.6 Cg_endo -69.82 -177.84 2.09 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.312 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -96.51 122.61 39.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -92.61 -26.46 17.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.1 p -93.64 43.33 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.171 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.99 28.52 2.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -113.74 -176.24 2.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.849 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.6 t -166.69 -41.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.172 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.33 154.27 46.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.435 HG11 ' CB ' ' A' ' 41' ' ' PHE . 67.5 t -56.52 -44.89 81.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.36 -34.36 70.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -75.49 -46.67 31.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.625 ' CZ3' HG11 ' A' ' 52' ' ' VAL . 10.4 t90 -57.95 -56.26 24.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.949 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.59 HD11 ' HD2' ' A' ' 41' ' ' PHE . 97.4 mt -55.68 -36.09 66.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.7 t -68.75 -18.71 64.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.27 -7.42 56.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.111 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.562 HD11 HD23 ' A' ' 29' ' ' LEU . 10.4 pt -122.89 10.82 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.173 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.5 mtmt 67.24 12.59 9.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 88.3 mmm -105.29 23.63 13.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.426 HG22 ' HE ' ' A' ' 38' ' ' ARG . 0.5 OUTLIER -59.42 -20.3 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -55.54 -25.34 37.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -100.43 27.54 5.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.426 ' HE ' HG22 ' A' ' 35' ' ' VAL . 6.0 ptp180 -72.27 -25.35 61.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.612 ' O ' HG22 ' A' ' 43' ' ' THR . 2.1 m-20 -87.93 -29.47 20.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.652 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.1 OUTLIER -62.3 -44.23 97.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.752 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.59 ' HD2' HD11 ' A' ' 29' ' ' LEU . 48.2 m-85 -73.29 -44.32 59.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.826 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.0 mt -55.85 -63.0 1.32 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.612 HG22 ' O ' ' A' ' 39' ' ' ASP . 14.6 t -57.1 -30.9 64.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.169 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.15 -19.97 64.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.12 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 111.7 -17.19 25.67 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.519 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.435 ' O ' HG21 ' A' ' 25' ' ' VAL . 27.4 m-85 -82.48 89.16 6.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.95 0.405 . . . . 0.0 110.874 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 68.0 p -96.81 -25.12 15.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.0 m -109.32 140.77 42.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.493 ' O ' HG23 ' A' ' 53' ' ' THR . 9.6 mt -61.68 -30.74 70.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -55.61 -26.12 42.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.7 mt -90.42 -26.32 19.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.625 HG11 ' CZ3' ' A' ' 28' ' ' TRP . 94.1 t -78.01 -26.63 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.54 HG22 ' HB3' ' A' ' 81' ' ' MET . 69.7 p -62.6 -24.8 67.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -101.69 25.73 8.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 35.3 mmt -103.91 169.42 8.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.5 t -140.04 174.03 10.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.159 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.9 t -52.06 -39.75 60.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.808 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -58.63 -36.64 74.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.852 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -66.96 -28.46 68.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.3 mt -69.3 -38.88 78.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.592 HD23 HG22 ' A' ' 66' ' ' THR . 0.2 OUTLIER -75.14 -19.16 60.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.866 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.55 -38.28 59.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.865 HD11 HD12 ' A' ' 65' ' ' ILE . 37.9 pt -81.27 -26.24 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.162 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.442 ' O ' HG23 ' A' ' 66' ' ' THR . . . 144.82 -37.14 1.37 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.865 HD12 HD11 ' A' ' 63' ' ' ILE . 63.2 mt -51.64 103.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.879 0.371 . . . . 0.0 111.128 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.592 HG22 HD23 ' A' ' 61' ' ' LEU . 44.2 p -126.09 40.21 3.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.153 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.567 HD22 ' CE1' ' A' ' 70' ' ' HIS . 0.2 OUTLIER -115.65 106.61 14.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.95 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.31 -31.97 55.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -77.57 -19.64 75.72 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.441 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.567 ' CE1' HD22 ' A' ' 67' ' ' LEU . 39.8 m170 -93.32 -45.95 7.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.731 0.3 . . . . 0.0 110.836 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -55.07 -33.7 62.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.13 -29.55 63.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.1 tttp -83.12 -48.78 10.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.482 HG22 HD11 ' A' ' 78' ' ' ILE . 72.8 mt -55.75 -61.43 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.107 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.4 mt -52.05 -43.56 63.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.96 -28.37 36.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.87 -45.03 9.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.482 HD11 HG22 ' A' ' 74' ' ' ILE . 75.5 mt -54.25 -48.85 66.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.144 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.642 ' O ' HG23 ' A' ' 83' ' ' VAL . 2.6 t-160 -56.4 -37.51 70.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.7 m -77.92 -26.76 49.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.54 ' HB3' HG22 ' A' ' 53' ' ' THR . 1.8 mtm -71.09 -55.07 9.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -52.12 -37.3 53.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 79' ' ' HIS . 91.1 t -66.8 -43.98 89.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -76.71 -74.38 0.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 29.9 pt -83.96 159.43 3.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.148 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.6 p -169.4 36.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -167.64 -42.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.3 t 52.61 68.46 3.06 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.695 0.759 . . . . 0.0 110.891 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 112.83 3.18 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.674 2.249 . . . . 0.0 112.387 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.29 163.8 28.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.182 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -137.48 87.57 2.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.116 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 26.3 ttp -141.21 81.33 1.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.945 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -156.82 148.34 22.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.084 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 25.5 p -146.68 147.43 30.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -162.54 73.61 0.19 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -33.24 17.07 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.68 2.254 . . . . 0.0 112.348 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.0 t -155.87 46.79 0.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.841 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.4 m 55.42 33.61 21.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.518 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -170.58 -179.46 2.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.885 0.374 . . . . 0.0 110.872 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 t -133.28 119.77 20.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.77 98.06 2.18 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.57 113.8 5.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.849 0.357 . . . . 0.0 110.894 -179.724 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.0 p -74.31 -175.64 2.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.89 22.62 4.82 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.506 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.9 p -108.5 38.37 2.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.83 0.348 . . . . 0.0 110.862 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -100.87 160.57 26.36 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.544 0.687 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 79.15 0.97 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.679 2.253 . . . . 0.0 112.313 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 63.11 163.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.57 152.79 32.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.04 178.74 7.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -170.25 173.42 5.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 p -158.28 162.83 37.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.843 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.437 HG23 ' HD2' ' A' ' 17' ' ' PRO . 59.4 mt -60.62 133.06 91.44 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.65 0.738 . . . . 0.0 111.131 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.437 ' HD2' HG23 ' A' ' 16' ' ' ILE . 53.5 Cg_endo -69.73 -173.26 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.685 2.257 . . . . 0.0 112.345 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -101.1 130.05 47.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.858 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -100.05 -26.37 13.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.6 p -93.45 42.02 1.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.38 25.69 4.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.121 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -111.8 -171.59 1.87 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.8 t -171.7 -41.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.159 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -132.46 151.07 52.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.164 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 90.7 t -52.52 -48.99 46.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.094 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.44 ' OD2' HD11 ' A' ' 42' ' ' LEU . 3.0 m-20 -52.15 -38.44 57.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.87 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.22 -50.86 13.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.577 ' CZ3' HG11 ' A' ' 52' ' ' VAL . 13.1 t90 -52.9 -55.98 19.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.943 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.614 HD12 ' HA ' ' A' ' 38' ' ' ARG . 60.5 mt -55.72 -36.59 67.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.926 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.8 t -69.88 -18.19 63.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.32 -7.67 54.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.114 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.502 HD11 HD23 ' A' ' 29' ' ' LEU . 10.8 pt -122.56 11.42 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.182 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 67.06 12.81 9.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 87.0 mmm -105.12 22.67 14.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -57.99 -22.29 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.09 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -55.49 -25.56 37.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -100.18 27.5 5.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.961 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.614 ' HA ' HD12 ' A' ' 29' ' ' LEU . 3.9 ptp85 -71.56 -26.05 62.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.848 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.628 ' O ' HG22 ' A' ' 43' ' ' THR . 1.1 m-20 -91.3 -27.04 18.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.839 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.641 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -62.8 -42.82 99.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.712 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.602 ' HD2' HD11 ' A' ' 29' ' ' LEU . 59.1 m-85 -78.07 -41.76 34.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.444 HD23 HG22 ' A' ' 47' ' ' THR . 30.5 mt -55.8 -59.86 4.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.628 HG22 ' O ' ' A' ' 39' ' ' ASP . 14.6 t -62.3 -30.71 71.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.9 -20.35 65.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.066 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.38 -16.84 21.83 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.537 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -84.42 88.85 7.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.909 0.385 . . . . 0.0 110.891 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.444 HG22 HD23 ' A' ' 42' ' ' LEU . 81.3 p -99.31 -25.78 14.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.6 m -105.68 133.94 49.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.563 HD21 ' CB ' ' A' ' 28' ' ' TRP . 33.4 mt -57.71 -32.22 67.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -54.46 -27.42 37.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 81.2 mt -88.3 -26.04 22.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.577 HG11 ' CZ3' ' A' ' 28' ' ' TRP . 94.5 t -75.01 -24.39 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.687 HG22 ' HB3' ' A' ' 81' ' ' MET . 50.1 p -66.59 -23.71 66.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -99.73 22.22 11.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.52 ' HE3' HG13 ' A' ' 52' ' ' VAL . 14.1 mtm -105.82 164.77 11.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.681 HG23 ' H ' ' A' ' 58' ' ' GLU . 14.3 t -135.93 174.66 10.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.645 ' CA ' HD21 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -52.03 -30.19 24.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.82 -179.884 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.681 ' H ' HG23 ' A' ' 56' ' ' THR . 39.3 mt-10 -66.28 -38.16 87.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -65.66 -28.63 69.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.846 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.4 mt -68.77 -38.08 79.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.468 HD23 HG22 ' A' ' 66' ' ' THR . 0.2 OUTLIER -75.2 -19.11 59.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.953 179.876 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -75.58 -38.31 59.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.882 HD11 HD12 ' A' ' 65' ' ' ILE . 37.9 pt -81.3 -26.21 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.117 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.616 ' O ' HG23 ' A' ' 66' ' ' THR . . . 144.84 -37.15 1.37 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.882 HD12 HD11 ' A' ' 63' ' ' ILE . 63.8 mt -51.74 103.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.941 0.401 . . . . 0.0 111.106 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.616 HG23 ' O ' ' A' ' 64' ' ' GLY . 81.8 p -125.32 25.28 7.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.49 107.94 20.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.45 -38.03 63.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -72.78 -19.77 79.47 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.514 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -89.83 -48.32 7.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.757 0.313 . . . . 0.0 110.838 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -52.41 -34.99 50.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.28 -34.38 46.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.8 tttp -81.76 -47.27 13.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.41 ' CD1' HD13 ' A' ' 65' ' ' ILE . 73.1 mt -56.49 -59.94 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.645 HD21 ' CA ' ' A' ' 57' ' ' SER . 47.4 mt -54.07 -42.29 69.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -57.64 -26.01 61.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.77 -47.26 7.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 62.3 mt -58.17 -36.82 59.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.102 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.623 ' O ' HG23 ' A' ' 83' ' ' VAL . 2.5 t-160 -68.32 -38.1 81.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.851 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.7 m -77.79 -26.52 49.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.687 ' HB3' HG22 ' A' ' 53' ' ' THR . 4.9 mtm -68.97 -56.93 6.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.13 -39.01 59.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 79' ' ' HIS . 93.5 t -65.56 -50.4 72.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 37.9 mm-40 -70.17 -74.46 0.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 45.9 pt -83.44 156.68 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.7 t -174.65 131.01 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -64.24 -172.9 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.95 160.57 2.17 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.665 0.745 . . . . 0.0 110.824 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 105.31 1.46 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.688 2.259 . . . . 0.0 112.298 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.1 t -98.56 -29.55 13.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.11 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 62.87 91.22 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.094 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.93 77.06 1.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -148.9 154.7 39.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 39.5 m -156.81 42.72 0.36 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.895 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 168.54 -73.66 0.13 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.423 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 147.22 62.43 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.687 2.258 . . . . 0.0 112.373 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -145.21 144.07 30.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.2 m 55.11 49.07 18.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.445 -179.949 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.2 t -124.2 120.59 32.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.847 0.356 . . . . 0.0 110.883 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.9 t -128.03 91.87 3.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.93 99.42 0.12 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.472 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -61.4 162.09 8.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.913 0.387 . . . . 0.0 110.848 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.34 38.02 1.97 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.03 -95.94 1.06 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.502 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.0 t -174.08 -43.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.838 0.351 . . . . 0.0 110.859 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -118.81 68.84 8.69 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.57 0.7 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -178.64 2.45 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.664 2.243 . . . . 0.0 112.357 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.2 mp -126.46 173.2 9.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.7 mt -101.81 135.46 43.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -79.39 -40.13 30.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -91.81 131.88 36.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 59.9 p -143.24 169.2 18.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.82 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.442 HG23 ' HD2' ' A' ' 17' ' ' PRO . 41.8 mm -83.19 133.23 48.23 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.652 0.739 . . . . 0.0 111.141 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.442 ' HD2' HG23 ' A' ' 16' ' ' ILE . 53.9 Cg_endo -69.75 -178.72 2.47 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.673 2.249 . . . . 0.0 112.344 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -97.16 109.74 22.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -74.07 -33.19 63.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.833 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.877 HG22 HG23 ' A' ' 85' ' ' ILE . 24.1 p -91.88 44.88 1.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.159 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.58 26.42 1.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.123 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -112.02 136.83 50.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 t -122.18 -35.49 3.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.1 p -127.72 134.77 49.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.556 HG21 ' O ' ' A' ' 46' ' ' PHE . 94.3 t -52.47 -29.95 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.65 -34.62 78.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.859 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.8 -46.81 28.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.565 ' CZ3' HG11 ' A' ' 52' ' ' VAL . 10.0 t90 -56.2 -56.17 24.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.623 HD23 HD11 ' A' ' 32' ' ' ILE . 92.4 mt -56.14 -34.65 66.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.7 t -70.0 -17.95 63.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.11 -7.91 54.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.107 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.623 HD11 HD23 ' A' ' 29' ' ' LEU . 10.7 pt -121.93 10.93 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.8 mttt 67.35 12.55 8.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 86.1 mmm -105.32 23.5 13.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.401 HG22 ' HE ' ' A' ' 38' ' ' ARG . 0.5 OUTLIER -58.56 -21.29 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.126 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -55.47 -25.53 37.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -100.13 27.49 5.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.936 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.544 ' O ' HD12 ' A' ' 42' ' ' LEU . 6.8 ptp180 -71.92 -25.53 61.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.857 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.606 ' O ' HG22 ' A' ' 43' ' ' THR . 1.3 m-20 -89.67 -28.66 19.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.716 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.8 OUTLIER -62.21 -43.82 97.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.75 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.592 ' HD2' HD11 ' A' ' 29' ' ' LEU . 51.6 m-85 -75.58 -42.14 52.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.544 HD12 ' O ' ' A' ' 38' ' ' ARG . 12.0 mt -57.29 -61.64 2.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.606 HG22 ' O ' ' A' ' 39' ' ' ASP . 14.6 t -57.58 -30.96 65.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.513 ' HB2' HG22 ' A' ' 63' ' ' ILE . . . -67.12 -20.6 65.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 108.1 16.73 11.86 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.448 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.556 ' O ' HG21 ' A' ' 25' ' ' VAL . 29.0 m-85 -113.2 74.32 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.933 0.397 . . . . 0.0 110.898 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 44.9 p -78.67 -26.82 45.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.14 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.5 m -114.56 149.98 35.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.466 HD12 ' CE ' ' A' ' 81' ' ' MET . 4.3 mm? -66.53 -26.93 67.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.928 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -55.64 -26.04 42.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.6 mt -91.88 -26.08 18.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.951 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.565 HG11 ' CZ3' ' A' ' 28' ' ' TRP . 92.3 t -80.9 -27.19 11.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.143 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.581 HG22 ' HB3' ' A' ' 81' ' ' MET . 33.4 p -63.21 -24.85 68.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -101.78 25.95 8.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 31.6 mmt -103.11 -176.12 3.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.567 HG23 ' H ' ' A' ' 58' ' ' GLU . 14.5 t -151.78 173.98 14.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.191 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.679 ' HA ' HD21 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -52.06 -33.78 40.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.858 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.567 ' H ' HG23 ' A' ' 56' ' ' THR . 9.9 mt-10 -61.56 -42.69 99.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -58.53 -35.61 72.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.9 mt -61.66 -41.38 97.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.688 HD23 HG22 ' A' ' 66' ' ' THR . 0.2 OUTLIER -74.62 -19.26 60.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.859 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -75.44 -39.83 58.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.871 HD11 HD12 ' A' ' 65' ' ' ILE . 37.1 pt -79.55 -28.41 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.1 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.527 ' O ' HG23 ' A' ' 66' ' ' THR . . . 147.24 -37.01 1.17 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.459 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.871 HD12 HD11 ' A' ' 63' ' ' ILE . 60.2 mt -51.61 103.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.929 0.395 . . . . 0.0 111.175 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.688 HG22 HD23 ' A' ' 61' ' ' LEU . 61.6 p -122.85 29.95 6.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.145 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.84 107.96 19.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.72 -42.15 67.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.11 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.24 -19.65 72.46 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.46 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 38.5 m170 -90.7 -45.1 9.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.761 0.315 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -57.66 -34.63 69.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.5 ttmm -57.35 -26.84 61.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -87.25 -39.75 15.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.556 HG22 ' CD1' ' A' ' 78' ' ' ILE . 79.6 mt -66.73 -58.61 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.091 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.679 HD21 ' HA ' ' A' ' 57' ' ' SER . 15.3 mt -53.02 -40.89 64.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.94 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -56.79 -25.99 56.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.933 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.16 -40.92 9.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.556 ' CD1' HG22 ' A' ' 74' ' ' ILE . 81.0 mt -63.06 -44.23 99.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.157 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.621 ' O ' HG23 ' A' ' 83' ' ' VAL . 2.9 t-160 -61.96 -40.06 94.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.8 m -76.85 -26.61 54.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.581 ' HB3' HG22 ' A' ' 53' ' ' THR . 0.8 OUTLIER -67.83 -57.44 6.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.88 179.927 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.23 -46.34 65.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 79' ' ' HIS . 91.1 t -56.09 -26.58 21.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.146 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -93.38 -71.4 0.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.877 HG23 HG22 ' A' ' 20' ' ' THR . 39.5 pt -88.47 152.16 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.6 t -173.73 -41.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -56.37 166.06 0.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 m 56.24 71.52 1.18 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.698 0.761 . . . . 0.0 110.854 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -25.14 28.82 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.637 2.224 . . . . 0.0 112.355 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 61.91 100.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 62.03 96.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.097 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.24 160.85 32.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -71.75 163.59 27.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.085 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.3 p -67.42 -41.38 84.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.828 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 96.49 174.96 35.63 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.5 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 107.69 1.92 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.677 2.251 . . . . 0.0 112.341 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 34.1 t -60.3 -39.15 85.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.4 m -143.9 135.52 26.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.478 -179.947 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -122.58 124.43 43.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.892 0.377 . . . . 0.0 110.862 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.57 107.7 19.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.09 -22.28 52.79 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.49 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.26 159.73 15.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.888 0.375 . . . . 0.0 110.831 -179.696 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 m -75.0 77.47 2.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.64 179.91 24.8 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.526 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.35 117.36 27.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.347 . . . . 0.0 110.864 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.7 mm100 52.78 68.68 2.85 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.595 0.712 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 108.48 2.08 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.727 2.285 . . . . 0.0 112.308 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.11 178.56 6.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.1 mt 53.74 74.13 0.34 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -73.39 -58.13 3.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 59.98 28.72 18.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 m -103.48 83.39 2.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.788 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.429 HG23 ' HD2' ' A' ' 17' ' ' PRO . 61.3 mt -105.97 133.09 20.37 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.596 0.712 . . . . 0.0 111.116 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.429 ' HD2' HG23 ' A' ' 16' ' ' ILE . 53.9 Cg_endo -69.8 -173.57 0.75 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.681 2.254 . . . . 0.0 112.314 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.68 128.68 47.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -95.87 22.96 6.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.3 p -115.86 26.41 10.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.137 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.35 27.62 9.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.431 ' HB3' HD11 ' A' ' 49' ' ' LEU . 23.9 m-85 -110.57 -175.84 2.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.7 t -169.29 -41.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.162 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.89 151.2 50.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 80.9 t -54.07 -47.17 66.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.41 -34.41 64.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -75.74 -46.65 29.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.618 ' CZ3' HG11 ' A' ' 52' ' ' VAL . 11.0 t90 -57.84 -56.43 22.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.614 HD23 HD11 ' A' ' 32' ' ' ILE . 93.1 mt -56.09 -35.01 66.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.6 t -70.14 -17.89 63.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.45 -7.76 54.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.614 HD11 HD23 ' A' ' 29' ' ' LEU . 11.3 pt -122.15 11.24 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt 67.12 12.69 9.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 88.0 mmm -105.29 23.41 13.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.69 -21.21 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.128 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -55.58 -25.38 37.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.946 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -100.4 27.32 5.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.963 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.442 ' HA ' HD12 ' A' ' 29' ' ' LEU . 7.6 ptp180 -72.13 -25.61 61.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.631 ' O ' HG22 ' A' ' 43' ' ' THR . 0.4 OUTLIER -89.0 -28.95 19.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.556 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -61.8 -44.03 97.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 -179.755 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.592 ' HD2' HD11 ' A' ' 29' ' ' LEU . 49.8 m-85 -74.26 -42.53 59.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 40.1 mt -56.92 -62.04 2.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.631 HG22 ' O ' ' A' ' 39' ' ' ASP . 15.2 t -58.3 -31.61 67.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.174 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.87 -20.04 65.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.71 -17.51 22.99 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.501 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -82.8 88.27 6.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.989 0.423 . . . . 0.0 110.918 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 81.8 p -96.0 -25.16 16.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.174 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.9 m -110.83 140.19 45.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.651 ' O ' HG23 ' A' ' 53' ' ' THR . 7.7 mt -56.65 -32.51 65.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -55.34 -26.28 39.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.4 mt -87.31 -25.85 23.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.618 HG11 ' CZ3' ' A' ' 28' ' ' TRP . 92.3 t -84.65 -25.14 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.651 HG23 ' O ' ' A' ' 49' ' ' LEU . 73.4 p -62.95 -24.53 67.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -105.51 29.54 6.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 35.0 mmt -104.9 179.06 4.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.6 t -146.5 173.85 11.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.122 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.448 ' CA ' HD21 ' A' ' 75' ' ' LEU . 0.5 OUTLIER -52.14 -45.96 65.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.889 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -55.11 -42.56 73.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -59.27 -26.67 65.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.9 mt -71.09 -36.77 72.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.86 -18.93 59.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 17.7 mtm180 -76.25 -37.79 57.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.904 HD11 HD12 ' A' ' 65' ' ' ILE . 37.6 pt -81.1 -26.81 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.105 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.442 ' O ' HG23 ' A' ' 66' ' ' THR . . . 145.41 -36.9 1.34 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.904 HD12 HD11 ' A' ' 63' ' ' ILE . 60.6 mt -52.75 102.48 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.904 0.383 . . . . 0.0 111.12 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.442 HG23 ' O ' ' A' ' 64' ' ' GLY . 46.9 p -123.23 34.38 5.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.99 104.71 12.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.52 -37.17 62.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.058 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -72.58 -19.97 79.32 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.46 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -91.66 -46.22 8.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.692 0.282 . . . . 0.0 110.824 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -54.12 -33.35 57.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.51 -28.54 60.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.826 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.0 tttt -84.6 -41.78 16.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.907 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.594 HG22 HD11 ' A' ' 78' ' ' ILE . 53.4 mt -63.28 -61.33 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.448 HD21 ' CA ' ' A' ' 57' ' ' SER . 9.3 mt -52.64 -43.37 65.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -55.31 -26.31 39.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.3 t -91.96 -39.36 11.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.594 HD11 HG22 ' A' ' 74' ' ' ILE . 62.4 mt -60.25 -47.0 93.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.615 ' O ' HG23 ' A' ' 83' ' ' VAL . 2.1 t-160 -57.24 -36.88 71.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.2 m -80.53 -27.32 37.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.405 ' HB3' HG22 ' A' ' 53' ' ' THR . 1.1 mtm -68.37 -56.0 10.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -52.24 -42.33 63.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 79' ' ' HIS . 91.4 t -61.19 -39.97 84.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -77.53 -74.41 0.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 34.1 pt -84.14 145.81 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.7 t -179.21 124.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.41 155.92 23.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.874 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -97.14 160.57 28.69 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.689 0.757 . . . . 0.0 110.878 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -21.5 33.33 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.686 2.257 . . . . 0.0 112.311 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 4.2 m -66.14 129.78 40.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.143 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -137.63 -178.09 5.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.073 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -74.01 94.88 2.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.36 165.85 1.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.093 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.27 126.01 44.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 86.46 -178.61 49.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.477 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 117.52 5.13 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.398 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.33 141.84 55.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -107.66 -59.11 1.88 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 179.978 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -81.62 -64.29 1.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.892 0.377 . . . . 0.0 110.886 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -112.85 -27.31 8.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.82 -86.69 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.496 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.3 m -139.49 83.05 1.92 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.895 0.379 . . . . 0.0 110.864 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -141.81 -177.0 4.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.69 47.24 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.469 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -103.53 144.07 31.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.778 0.323 . . . . 0.0 110.846 -179.697 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -124.91 72.43 63.2 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.606 0.717 . . . . 0.0 110.937 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 169.25 19.38 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.705 2.27 . . . . 0.0 112.293 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.1 mt -127.57 153.74 46.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.5 mt -63.98 126.81 28.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.952 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -137.0 -47.65 0.59 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -124.65 97.66 5.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.7 p -106.93 68.58 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.451 HG23 ' HD2' ' A' ' 17' ' ' PRO . 41.6 mm -60.19 133.22 90.36 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.635 0.731 . . . . 0.0 111.128 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.451 ' HD2' HG23 ' A' ' 16' ' ' ILE . 53.7 Cg_endo -69.82 -176.46 1.51 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.691 2.26 . . . . 0.0 112.359 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -98.17 117.45 32.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.819 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -82.72 -26.46 31.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.3 p -94.01 41.58 1.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.185 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.14 25.8 4.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.062 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -115.12 -170.83 1.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.6 t -172.49 -40.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.155 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -133.01 154.66 50.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.111 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 44.4 t -54.63 -50.95 55.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.414 ' OD2' HD11 ' A' ' 42' ' ' LEU . 2.7 m-20 -51.98 -31.89 31.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.9 -52.06 7.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.646 ' CZ3' HG11 ' A' ' 52' ' ' VAL . 12.9 t90 -53.0 -55.21 25.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.578 HD11 ' HD2' ' A' ' 41' ' ' PHE . 79.5 mt -55.57 -37.16 67.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.9 t -69.59 -18.48 63.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.825 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.27 -6.09 57.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.059 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.505 HD11 HD23 ' A' ' 29' ' ' LEU . 11.4 pt -124.23 11.07 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.134 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 67.41 12.49 8.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 85.6 mmm -105.03 22.81 14.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -58.04 -21.67 17.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.123 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -55.48 -25.44 36.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -99.79 27.34 5.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.542 ' HA ' HD12 ' A' ' 29' ' ' LEU . 3.6 ptp85 -71.49 -26.19 62.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.621 ' O ' HG22 ' A' ' 43' ' ' THR . 0.6 OUTLIER -91.0 -27.09 18.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.8 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -62.96 -42.89 99.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.795 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.578 ' HD2' HD11 ' A' ' 29' ' ' LEU . 55.5 m-85 -77.61 -43.09 32.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.414 HD11 ' OD2' ' A' ' 26' ' ' ASP . 22.5 mt -54.48 -62.3 1.74 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.621 HG22 ' O ' ' A' ' 39' ' ' ASP . 14.6 t -58.93 -30.76 68.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.149 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.34 -20.2 65.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.078 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.6 -17.21 21.03 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.494 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -81.16 89.11 5.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.948 0.404 . . . . 0.0 110.893 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.4 p -98.73 -25.36 14.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.107 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 66.3 m -107.76 136.06 48.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.611 HD21 ' CB ' ' A' ' 28' ' ' TRP . 29.5 mt -58.24 -32.46 68.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -54.93 -26.84 38.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 85.1 mt -86.91 -30.49 21.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.646 HG11 ' CZ3' ' A' ' 28' ' ' TRP . 93.8 t -73.55 -27.42 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.175 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.626 HG22 ' HB3' ' A' ' 81' ' ' MET . 51.0 p -62.75 -24.98 67.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -101.07 25.65 7.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.947 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 38.1 mmt -103.72 170.93 7.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.436 HG23 ' H ' ' A' ' 58' ' ' GLU . 14.7 t -142.31 173.47 11.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.177 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.567 ' CA ' HD21 ' A' ' 75' ' ' LEU . 3.4 t -52.11 -37.32 53.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.436 ' H ' HG23 ' A' ' 56' ' ' THR . 18.3 mt-10 -61.12 -33.42 73.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -70.65 -26.77 63.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.8 mt -72.87 -37.39 67.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.754 HD23 HG22 ' A' ' 66' ' ' THR . 0.3 OUTLIER -75.37 -19.53 59.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.892 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -75.17 -38.1 61.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.898 HD11 HD12 ' A' ' 65' ' ' ILE . 37.8 pt -81.48 -26.14 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.75 -37.39 1.36 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.481 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.898 HD12 HD11 ' A' ' 63' ' ' ILE . 62.0 mt -51.85 102.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.942 0.401 . . . . 0.0 111.182 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.754 HG22 HD23 ' A' ' 61' ' ' LEU . 18.1 p -117.27 -18.4 9.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.166 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -55.27 108.4 0.41 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.89 -26.47 35.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.079 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -82.12 -21.43 60.92 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.499 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -89.03 -34.06 16.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.699 0.285 . . . . 0.0 110.854 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.409 ' O ' HD12 ' A' ' 75' ' ' LEU . 51.5 mt-30 -69.04 -32.36 71.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.932 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.55 -28.74 70.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -82.27 -46.83 13.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.493 HG22 ' CD1' ' A' ' 78' ' ' ILE . 55.0 mt -57.82 -58.7 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.567 HD21 ' CA ' ' A' ' 57' ' ' SER . 6.0 mt -52.64 -43.33 65.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.944 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -57.24 -27.13 61.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.51 -45.72 8.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.493 ' CD1' HG22 ' A' ' 74' ' ' ILE . 77.1 mt -59.77 -45.12 95.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.574 ' O ' HG23 ' A' ' 83' ' ' VAL . 1.3 t-160 -60.52 -26.75 67.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.859 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.3 m -90.12 -26.61 20.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.626 ' HB3' HG22 ' A' ' 53' ' ' THR . 0.3 OUTLIER -68.78 -53.05 23.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.903 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -54.8 -45.72 74.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 79' ' ' HIS . 96.1 t -54.85 -26.98 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.188 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -95.64 -74.34 0.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 37.8 pt -83.67 152.96 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.114 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.1 t -169.73 -55.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.38 -65.68 0.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -146.89 160.62 40.04 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.647 0.737 . . . . 0.0 110.887 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 170.97 15.39 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.687 2.258 . . . . 0.0 112.335 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.2 t -129.6 133.88 47.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -141.79 178.07 7.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.69 -41.77 18.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.85 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 61.4 92.51 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.087 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.4 t -97.04 -59.64 1.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.838 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -57.49 -73.8 0.41 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.474 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 130.88 20.13 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.621 2.214 . . . . 0.0 112.382 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.77 132.49 53.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.11 134.97 53.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.491 -179.975 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -62.04 128.0 34.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.873 0.368 . . . . 0.0 110.853 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.9 m -162.22 156.48 21.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.53 104.19 0.36 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.498 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.66 153.01 4.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.896 0.379 . . . . 0.0 110.895 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 t -88.64 -66.87 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.808 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.24 40.12 0.16 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.554 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.98 163.56 2.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.797 0.332 . . . . 0.0 110.85 -179.669 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -119.73 70.49 13.57 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.569 0.7 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 85.59 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.68 2.253 . . . . 0.0 112.317 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 pp -59.09 152.1 20.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -153.02 169.83 21.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.86 -61.11 1.44 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -83.04 117.55 22.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 55.6 p -87.22 78.07 8.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.432 HG23 ' HD2' ' A' ' 17' ' ' PRO . 62.2 mt -83.95 133.09 46.51 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.572 0.701 . . . . 0.0 111.168 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.432 ' HD2' HG23 ' A' ' 16' ' ' ILE . 53.5 Cg_endo -69.84 -178.36 2.34 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.666 2.244 . . . . 0.0 112.308 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -96.63 112.49 24.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.819 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -76.71 -30.35 56.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.52 HG22 HG23 ' A' ' 85' ' ' ILE . 20.8 p -91.91 44.57 1.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.131 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.1 25.48 1.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.043 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -111.72 136.17 51.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.856 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.0 t -124.72 -36.37 2.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.089 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.2 p -126.02 133.87 51.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.149 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.433 HG21 ' O ' ' A' ' 46' ' ' PHE . 96.7 t -51.68 -32.5 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.132 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -60.44 -35.4 75.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -76.64 -51.31 11.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.471 ' CE3' HD11 ' A' ' 49' ' ' LEU . 13.0 t90 -52.63 -56.0 18.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.951 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.61 HD12 ' HA ' ' A' ' 38' ' ' ARG . 59.9 mt -55.59 -36.57 67.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.8 t -69.87 -18.53 63.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.97 -7.11 56.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.114 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.496 HD11 HD23 ' A' ' 29' ' ' LEU . 10.5 pt -123.21 11.15 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.3 mttt 67.42 12.49 8.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 58.1 mmm -104.71 22.53 14.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -57.74 -22.53 18.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -55.44 -25.48 36.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -100.1 27.54 5.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.61 ' HA ' HD12 ' A' ' 29' ' ' LEU . 3.8 ptp85 -71.94 -26.03 62.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.884 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.665 ' O ' HG22 ' A' ' 43' ' ' THR . 0.9 OUTLIER -90.12 -29.04 18.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.602 ' HB3' HD12 ' A' ' 63' ' ' ILE . 1.3 t -59.97 -43.2 95.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.493 ' HD2' HD11 ' A' ' 29' ' ' LEU . 60.1 m-85 -78.39 -43.6 27.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.431 HD12 ' O ' ' A' ' 38' ' ' ARG . 16.6 mt -52.18 -62.67 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.665 HG22 ' O ' ' A' ' 39' ' ' ASP . 12.3 t -58.34 -32.93 68.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.473 ' HB2' HG22 ' A' ' 63' ' ' ILE . . . -64.58 -21.28 66.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.091 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 108.12 16.63 12.04 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.446 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.433 ' O ' HG21 ' A' ' 25' ' ' VAL . 28.8 m-85 -113.14 79.71 1.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.934 0.397 . . . . 0.0 110.887 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 43.7 p -86.94 -25.23 24.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.138 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.8 m -116.53 136.64 52.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.54 HD12 ' CE ' ' A' ' 81' ' ' MET . 4.3 mm? -55.57 -26.58 44.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -54.28 -27.63 36.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.3 mt -91.88 -25.96 18.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.1 t -79.18 -27.93 13.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.483 HG22 ' HB3' ' A' ' 81' ' ' MET . 37.6 p -62.45 -24.87 67.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -101.62 26.05 7.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 36.3 mmt -104.35 -176.05 2.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.657 HG23 ' H ' ' A' ' 58' ' ' GLU . 14.6 t -151.93 173.92 14.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.142 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.701 ' HB3' HD11 ' A' ' 75' ' ' LEU . 0.2 OUTLIER -52.08 -30.07 24.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.847 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.657 ' H ' HG23 ' A' ' 56' ' ' THR . 20.6 mt-10 -64.13 -44.42 92.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -58.02 -37.15 73.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.838 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.8 mt -61.67 -42.11 98.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.619 HD23 HG22 ' A' ' 66' ' ' THR . 0.6 OUTLIER -74.05 -19.21 60.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 179.879 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.0 mtm180 -74.81 -42.36 58.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.897 HD11 HD12 ' A' ' 65' ' ' ILE . 33.3 pt -77.0 -30.14 17.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 148.84 -36.29 1.06 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.511 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.897 HD12 HD11 ' A' ' 63' ' ' ILE . 58.8 mt -51.72 102.98 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 111.162 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.619 HG22 HD23 ' A' ' 61' ' ' LEU . 26.0 p -124.7 13.5 8.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -81.5 106.98 13.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.95 -33.41 56.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.154 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -78.5 -19.35 74.02 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.473 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.8 m170 -91.03 -46.38 8.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.76 0.314 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -52.7 -39.3 61.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.01 -26.61 38.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -86.72 -43.22 12.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.496 HG22 ' CD1' ' A' ' 78' ' ' ILE . 76.3 mt -61.96 -60.21 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.701 HD11 ' HB3' ' A' ' 57' ' ' SER . 36.3 mt -53.38 -40.49 65.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -59.35 -26.08 64.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.54 -42.62 9.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.496 ' CD1' HG22 ' A' ' 74' ' ' ILE . 78.0 mt -63.43 -43.24 98.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.134 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.615 ' O ' HG23 ' A' ' 83' ' ' VAL . 3.3 t-160 -57.59 -40.24 78.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.5 t -81.3 -26.65 35.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.54 ' CE ' HD12 ' A' ' 49' ' ' LEU . 0.4 OUTLIER -67.49 -51.14 54.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -59.52 -43.93 93.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 79' ' ' HIS . 97.6 t -60.69 -26.92 39.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -89.74 -71.56 0.6 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.52 HG23 HG22 ' A' ' 20' ' ' THR . 44.8 pt -88.26 154.35 3.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.107 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 t -177.0 113.27 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 55.72 50.52 14.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.3 m -75.07 160.57 80.14 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.694 0.759 . . . . 0.0 110.854 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 112.02 2.96 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.735 2.29 . . . . 0.0 112.334 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.09 162.06 15.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -100.97 -175.08 2.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.117 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 45.3 mtm -107.89 128.45 54.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -126.52 132.04 51.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.4 t -64.89 97.82 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.837 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -82.76 -71.56 1.31 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 94.7 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.639 2.226 . . . . 0.0 112.336 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 36.9 p -65.19 143.01 58.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.68 86.03 4.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.466 179.999 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.459 -0.257 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.3 t -77.62 138.45 39.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.847 0.355 . . . . 0.0 110.892 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.0 m -139.47 92.68 2.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.8 -89.59 0.76 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.459 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.4 t -127.72 67.07 1.33 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.846 0.355 . . . . 0.0 110.86 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.4 p -58.64 143.02 47.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.72 -103.07 0.19 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.466 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.57 -176.14 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.807 0.337 . . . . 0.0 110.868 -179.707 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.83 73.13 2.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.584 0.706 . . . . 0.0 110.941 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 97.83 0.66 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.699 2.266 . . . . 0.0 112.321 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 mp -102.5 160.45 14.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.6 mt -83.67 154.99 23.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 54.62 64.42 1.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -130.1 -53.23 1.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.31 115.35 2.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.45 HG23 ' HD2' ' A' ' 17' ' ' PRO . 41.8 mm -73.43 133.15 80.77 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.601 0.715 . . . . 0.0 111.171 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.45 ' HD2' HG23 ' A' ' 16' ' ' ILE . 54.0 Cg_endo -69.74 -178.28 2.26 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.705 2.27 . . . . 0.0 112.349 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -99.68 129.34 45.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -101.43 -26.2 13.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.915 HG22 HG23 ' A' ' 85' ' ' ILE . 20.2 p -91.49 45.05 1.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.181 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.89 25.09 1.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -105.38 -175.29 2.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.1 t -168.65 -38.5 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.129 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.0 p -128.75 135.23 48.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.174 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 98.6 t -51.6 -30.43 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.441 ' OD1' HD11 ' A' ' 42' ' ' LEU . 9.2 m-20 -62.65 -36.24 82.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.85 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.39 -49.88 13.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.469 ' CE3' HD11 ' A' ' 49' ' ' LEU . 12.5 t90 -52.87 -56.46 15.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.614 HD12 ' HA ' ' A' ' 38' ' ' ARG . 61.0 mt -55.73 -36.37 67.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.6 t -70.05 -18.33 63.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.47 -5.45 57.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.089 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.506 HD11 HD23 ' A' ' 29' ' ' LEU . 10.5 pt -124.86 10.9 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.165 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 67.6 12.45 8.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 57.9 mmm -104.81 22.52 15.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.466 HG22 ' HE ' ' A' ' 38' ' ' ARG . 0.6 OUTLIER -58.17 -21.78 18.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.159 179.919 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -55.5 -25.45 37.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -100.94 27.43 6.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.614 ' HA ' HD12 ' A' ' 29' ' ' LEU . 7.5 ptp180 -72.88 -27.8 62.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.622 ' O ' HG22 ' A' ' 43' ' ' THR . 1.4 m-20 -87.7 -27.33 22.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.775 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -62.92 -42.92 99.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.807 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.521 ' HD2' HD11 ' A' ' 29' ' ' LEU . 56.7 m-85 -78.28 -40.99 35.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.441 HD11 ' OD1' ' A' ' 26' ' ' ASP . 18.1 mt -56.54 -61.09 2.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.622 HG22 ' O ' ' A' ' 39' ' ' ASP . 14.6 t -60.09 -30.91 69.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.58 -20.2 65.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.105 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 114.0 -17.71 19.61 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.486 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -80.94 85.86 6.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.949 0.404 . . . . 0.0 110.916 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.2 p -92.56 -32.33 14.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.183 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.7 m -109.04 135.32 50.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.548 HD12 ' CE ' ' A' ' 81' ' ' MET . 4.3 mm? -53.17 -28.68 27.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -52.74 -29.26 26.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 74.5 mt -89.74 -26.03 20.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.403 HG11 ' CZ3' ' A' ' 28' ' ' TRP . 94.5 t -75.31 -35.7 34.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.787 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.566 HG22 ' HB3' ' A' ' 81' ' ' MET . 45.9 p -56.53 -24.32 45.87 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -99.62 25.2 7.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 27.6 mmt -108.51 171.51 7.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.627 HG23 ' H ' ' A' ' 58' ' ' GLU . 14.5 t -140.38 174.25 10.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.187 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.734 ' HB3' HD11 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -52.09 -31.84 32.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 -179.848 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.627 ' H ' HG23 ' A' ' 56' ' ' THR . 37.7 mt-10 -66.01 -36.11 82.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.514 ' OD2' HG22 ' A' ' 56' ' ' THR . 12.0 m-20 -66.17 -28.35 68.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.5 mt -72.06 -38.02 69.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 1.019 HD23 HG22 ' A' ' 66' ' ' THR . 0.3 OUTLIER -75.57 -19.06 59.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.919 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.7 mtp85 -75.57 -39.27 58.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.887 HD11 HD12 ' A' ' 65' ' ' ILE . 35.5 pt -79.82 -27.18 12.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.491 ' O ' HG23 ' A' ' 66' ' ' THR . . . 145.57 -36.66 1.34 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.47 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.887 HD12 HD11 ' A' ' 63' ' ' ILE . 60.5 mt -52.63 102.49 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.902 0.382 . . . . 0.0 111.159 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . 1.019 HG22 HD23 ' A' ' 61' ' ' LEU . 65.0 p -124.4 14.21 8.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -81.49 107.08 13.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.966 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.13 -32.4 55.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -79.22 -19.61 71.66 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.514 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 38.2 m170 -91.29 -46.42 8.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.744 0.307 . . . . 0.0 110.831 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -52.02 -40.33 60.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.97 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -53.17 -28.66 27.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -83.22 -53.04 6.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.894 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.509 HG22 ' CD1' ' A' ' 78' ' ' ILE . 77.1 mt -52.51 -60.07 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.088 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.734 HD11 ' HB3' ' A' ' 57' ' ' SER . 40.2 mt -53.34 -41.64 65.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.12 -25.79 64.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.17 -41.53 10.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.828 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.509 ' CD1' HG22 ' A' ' 74' ' ' ILE . 81.2 mt -65.03 -43.81 95.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.121 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.618 ' O ' HG23 ' A' ' 83' ' ' VAL . 2.8 t-160 -57.4 -38.98 75.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 30.6 t -81.77 -30.53 32.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.566 ' HB3' HG22 ' A' ' 53' ' ' THR . 0.4 OUTLIER -65.12 -49.17 70.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.0 ptt180 -60.48 -43.48 96.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 79' ' ' HIS . 96.6 t -62.43 -36.41 74.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.187 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -80.41 -73.57 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.915 HG23 HG22 ' A' ' 20' ' ' THR . 37.9 pt -86.66 155.58 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.6 t -178.88 123.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.75 179.2 4.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.3 t 57.15 70.99 1.2 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.63 0.729 . . . . 0.0 110.863 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 117.58 5.17 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.725 2.283 . . . . 0.0 112.347 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.6 p -111.34 151.31 28.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.113 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -138.04 37.01 2.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.66 30.59 3.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -79.43 -50.74 10.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.054 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 57.3 m -65.59 100.16 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.01 166.49 18.51 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.504 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 94.5 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.677 2.251 . . . . 0.0 112.348 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.03 95.14 1.04 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.89 178.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.514 179.961 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.421 -0.272 . . . . 0.0 112.421 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.74 -48.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.351 . . . . 0.0 110.861 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 59.54 93.66 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.81 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.46 -70.93 0.87 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.45 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.3 p -172.44 142.23 1.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.91 0.386 . . . . 0.0 110.826 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -113.6 -170.87 1.78 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.83 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 57.71 176.25 0.49 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.5 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.2 t 62.54 -176.66 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.815 0.341 . . . . 0.0 110.872 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -120.42 70.61 16.9 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.63 0.729 . . . . 0.0 110.893 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 102.35 1.02 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.644 2.229 . . . . 0.0 112.336 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 mp -70.33 152.9 43.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.9 mt -120.38 92.16 3.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -167.42 -74.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -171.4 -47.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.6 t 55.11 85.15 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.832 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.449 HG23 ' HD2' ' A' ' 17' ' ' PRO . 41.6 mm -64.99 133.16 95.69 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.644 0.735 . . . . 0.0 111.13 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.449 ' HD2' HG23 ' A' ' 16' ' ' ILE . 53.0 Cg_endo -69.77 -173.11 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.689 2.259 . . . . 0.0 112.362 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.3 130.31 46.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.905 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -97.23 22.96 7.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.4 p -118.3 32.39 6.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.092 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.01 25.41 9.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.072 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -111.48 168.12 9.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.4 t -153.42 -42.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.149 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.11 153.21 51.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.163 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.451 HG21 ' O ' ' A' ' 46' ' ' PHE . 77.8 t -52.11 -48.08 42.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.113 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.427 ' OD1' HD11 ' A' ' 42' ' ' LEU . 15.0 m-20 -52.22 -37.65 55.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.818 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.37 -50.61 13.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.826 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.581 ' CB ' HD21 ' A' ' 49' ' ' LEU . 13.4 t90 -53.52 -55.91 21.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.6 HD12 ' HA ' ' A' ' 38' ' ' ARG . 62.2 mt -55.64 -36.46 67.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.937 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.1 t -70.24 -18.29 63.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.25 -7.52 55.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.082 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.505 HD11 HD23 ' A' ' 29' ' ' LEU . 11.3 pt -122.65 11.15 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.166 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 67.36 12.58 8.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 66.6 mmm -104.65 22.57 14.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.409 HG22 ' HE ' ' A' ' 38' ' ' ARG . 0.5 OUTLIER -58.01 -22.07 18.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.131 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -55.56 -25.42 37.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -100.54 27.29 5.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.6 ' HA ' HD12 ' A' ' 29' ' ' LEU . 8.0 ptp180 -72.37 -25.97 61.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.956 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.613 ' O ' HG22 ' A' ' 43' ' ' THR . 0.5 OUTLIER -88.96 -27.99 20.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.793 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -63.29 -43.31 98.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.747 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.589 ' HD2' HD11 ' A' ' 29' ' ' LEU . 55.6 m-85 -77.59 -40.89 40.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.891 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.455 HD23 HG22 ' A' ' 47' ' ' THR . 22.7 mt -57.07 -56.59 19.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.919 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.613 HG22 ' O ' ' A' ' 39' ' ' ASP . 14.6 t -65.46 -30.77 71.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.34 -20.25 65.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.076 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.19 -16.74 24.76 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.499 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.451 ' O ' HG21 ' A' ' 25' ' ' VAL . 27.1 m-85 -82.5 89.15 6.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.946 0.403 . . . . 0.0 110.883 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.455 HG22 HD23 ' A' ' 42' ' ' LEU . 59.0 p -102.01 -25.23 13.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.8 m -105.96 132.59 51.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.581 HD21 ' CB ' ' A' ' 28' ' ' TRP . 9.4 mt -56.83 -32.73 66.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.921 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -54.08 -27.84 35.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 71.1 mt -88.92 -26.02 21.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.957 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.504 HG13 ' HE3' ' A' ' 55' ' ' MET . 93.9 t -74.88 -24.58 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.107 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.628 HG22 ' HB3' ' A' ' 81' ' ' MET . 45.5 p -66.4 -23.91 66.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.185 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -99.52 22.34 10.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.504 ' HE3' HG13 ' A' ' 52' ' ' VAL . 13.4 mtm -106.14 162.38 13.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.677 HG23 ' H ' ' A' ' 58' ' ' GLU . 14.4 t -133.15 174.52 10.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.14 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.664 ' HB3' HD11 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -52.04 -30.08 23.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.84 -179.822 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.677 ' H ' HG23 ' A' ' 56' ' ' THR . 21.1 mt-10 -66.24 -37.13 84.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.0 -33.99 77.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.1 mt -67.73 -36.48 80.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.969 HD23 HG22 ' A' ' 66' ' ' THR . 0.3 OUTLIER -76.47 -19.0 58.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 179.908 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -76.21 -37.6 57.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.889 HD11 HD12 ' A' ' 65' ' ' ILE . 37.1 pt -81.02 -26.29 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.131 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.668 ' O ' HG23 ' A' ' 66' ' ' THR . . . 144.87 -36.84 1.39 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.485 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.889 HD12 HD11 ' A' ' 63' ' ' ILE . 58.4 mt -53.9 101.67 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.952 0.406 . . . . 0.0 111.164 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.969 HG22 HD23 ' A' ' 61' ' ' LEU . 61.3 p -123.16 15.22 9.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.155 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -81.51 108.17 14.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.939 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.92 -34.28 59.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.11 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -77.12 -23.82 67.82 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.51 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.2 m170 -85.76 -47.39 9.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.765 0.317 . . . . 0.0 110.853 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -52.52 -38.37 59.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -28.27 31.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -84.96 -52.78 5.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.463 HG23 ' HH2' ' A' ' 28' ' ' TRP . 76.9 mt -52.26 -59.42 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.148 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.664 HD11 ' HB3' ' A' ' 57' ' ' SER . 52.9 mt -52.43 -44.9 65.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -55.7 -26.19 43.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.78 -48.05 7.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 62.3 mt -57.35 -36.32 52.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.144 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.64 ' O ' HG23 ' A' ' 83' ' ' VAL . 2.6 t-160 -69.55 -37.77 77.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.0 t -76.68 -29.04 56.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.628 ' HB3' HG22 ' A' ' 53' ' ' THR . 4.7 mtm -69.65 -54.63 12.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -52.19 -36.14 51.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 79' ' ' HIS . 92.3 t -69.05 -49.41 62.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -69.7 -73.26 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 49.6 pt -83.34 149.53 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.171 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 26.6 p -169.33 -43.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.29 169.63 1.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.6 m 60.36 68.82 1.29 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.686 0.755 . . . . 0.0 110.854 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -174.19 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.691 2.261 . . . . 0.0 112.334 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.1 t -57.42 -29.79 64.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.163 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 60.52 85.5 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.105 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 3.7 ptp -124.39 70.57 1.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 52.82 48.58 22.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.049 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.3 p -103.61 151.32 23.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -133.13 71.31 0.5 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.472 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 173.05 11.53 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.659 2.239 . . . . 0.0 112.337 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 t -72.08 -170.83 0.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.0 m -167.29 178.48 5.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 179.986 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 p -131.11 159.7 36.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.341 . . . . 0.0 110.89 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.17 175.22 5.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.41 -169.18 24.15 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.505 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 p -115.11 -174.56 2.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.877 0.37 . . . . 0.0 110.864 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -126.29 73.02 1.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.849 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.9 -166.58 32.66 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.498 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -140.07 163.33 33.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.806 0.336 . . . . 0.0 110.832 -179.726 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -129.9 71.0 82.27 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.664 0.745 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 167.78 23.48 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.703 2.269 . . . . 0.0 112.367 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -166.28 -176.52 3.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.94 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.4 mt -90.25 139.06 31.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.942 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -104.07 55.0 0.73 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.42 91.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.52 132.18 49.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.829 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.431 HG23 ' HD2' ' A' ' 17' ' ' PRO . 57.0 mt -77.62 133.13 67.26 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.64 0.733 . . . . 0.0 111.134 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.431 ' HD2' HG23 ' A' ' 16' ' ' ILE . 53.7 Cg_endo -69.82 -170.9 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.698 2.265 . . . . 0.0 112.356 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.572 ' OD1' ' HB3' ' A' ' 21' ' ' ALA . 3.0 p30 -100.68 131.96 46.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -104.54 -25.73 12.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . 1.024 HG22 HG23 ' A' ' 85' ' ' ILE . 49.8 p -90.22 47.24 1.42 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.146 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.572 ' HB3' ' OD1' ' A' ' 18' ' ' ASP . . . -143.3 25.31 1.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.074 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -105.53 -175.05 2.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.912 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.8 t -167.78 -38.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.181 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.5 p -129.06 135.72 49.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.131 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.0 t -51.69 -30.08 11.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -62.65 -36.13 81.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.837 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -77.5 -49.7 14.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.443 ' CE3' HD11 ' A' ' 49' ' ' LEU . 12.6 t90 -53.0 -56.46 15.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.622 HD12 ' HA ' ' A' ' 38' ' ' ARG . 60.5 mt -55.73 -36.2 66.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.965 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.6 t -70.14 -18.14 63.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.31 -6.78 56.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.516 HD11 HD23 ' A' ' 29' ' ' LEU . 10.2 pt -123.55 11.08 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.084 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.9 mtmt 67.49 12.46 8.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 61.6 mmm -104.76 22.63 14.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.887 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.452 HG22 ' HE ' ' A' ' 38' ' ' ARG . 0.5 OUTLIER -58.24 -21.62 17.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.4 pt20 -55.47 -25.7 38.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -100.97 27.54 5.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.956 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.622 ' HA ' HD12 ' A' ' 29' ' ' LEU . 7.9 ptp180 -72.63 -27.93 62.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.893 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.628 ' O ' HG22 ' A' ' 43' ' ' THR . 3.6 m-20 -87.57 -27.42 22.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.755 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -62.72 -43.04 99.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.834 -179.764 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.535 ' HD2' HD11 ' A' ' 29' ' ' LEU . 57.2 m-85 -78.15 -41.24 35.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.1 mt -56.24 -61.33 2.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.628 HG22 ' O ' ' A' ' 39' ' ' ASP . 14.6 t -60.11 -30.9 69.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.26 -20.3 65.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.118 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.93 -17.36 20.1 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.454 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -81.3 87.01 6.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.89 0.376 . . . . 0.0 110.913 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 51.3 p -93.41 -32.74 14.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.165 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.5 m -108.04 134.65 50.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.828 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.531 HD12 ' CE ' ' A' ' 81' ' ' MET . 4.3 mm? -52.78 -29.49 27.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.99 -28.93 26.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 93.4 mt -89.57 -25.88 21.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.411 HG11 ' CZ3' ' A' ' 28' ' ' TRP . 95.4 t -76.42 -33.73 23.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.112 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.563 HG22 ' HB3' ' A' ' 81' ' ' MET . 46.5 p -57.7 -23.76 53.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -99.88 24.93 7.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.942 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 37.7 mmt -106.67 173.67 6.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.607 HG23 ' H ' ' A' ' 58' ' ' GLU . 14.4 t -143.98 174.37 10.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.109 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.696 ' HB3' HD11 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -51.98 -32.86 35.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.863 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.607 ' H ' HG23 ' A' ' 56' ' ' THR . 16.8 mt-10 -64.71 -40.01 94.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.871 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -63.32 -33.46 75.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 15.2 mt -66.88 -37.94 85.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.833 HD23 HG22 ' A' ' 66' ' ' THR . 0.4 OUTLIER -75.92 -18.93 59.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 179.898 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.8 -39.16 57.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.897 HD11 HD12 ' A' ' 65' ' ' ILE . 35.1 pt -79.59 -27.39 12.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.75 -36.32 1.34 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.482 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.897 HD12 HD11 ' A' ' 63' ' ' ILE . 59.1 mt -53.49 102.03 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.89 0.376 . . . . 0.0 111.159 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.833 HG22 HD23 ' A' ' 61' ' ' LEU . 40.3 p -123.64 14.0 9.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.123 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -81.4 107.11 13.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.14 -33.42 57.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -78.43 -19.23 74.44 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.489 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 38.6 m170 -91.42 -46.03 8.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.753 0.311 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -52.97 -38.93 62.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -54.4 -27.34 36.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -85.31 -51.01 6.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.535 HG22 ' CD1' ' A' ' 78' ' ' ILE . 80.3 mt -53.96 -61.37 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.127 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.696 HD11 ' HB3' ' A' ' 57' ' ' SER . 29.3 mt -53.67 -40.61 66.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -58.24 -26.09 62.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.3 t -93.17 -39.42 11.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.905 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.535 ' CD1' HG22 ' A' ' 74' ' ' ILE . 78.0 mt -65.63 -44.29 93.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.16 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.613 ' O ' HG23 ' A' ' 83' ' ' VAL . 2.3 t-160 -58.03 -35.66 71.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 14.9 t -85.56 -26.44 26.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.828 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.563 ' HB3' HG22 ' A' ' 53' ' ' THR . 0.2 OUTLIER -70.48 -44.41 67.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -64.36 -40.84 96.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 79' ' ' HIS . 95.7 t -63.5 -26.9 41.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -92.39 -71.39 0.65 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.958 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 1.024 HG23 HG22 ' A' ' 20' ' ' THR . 9.6 pt -88.76 171.12 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.183 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.5 t 63.11 66.04 0.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -78.57 131.06 36.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.961 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.84 160.6 71.36 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.654 0.74 . . . . 0.0 110.885 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 136.51 33.07 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.66 2.24 . . . . 0.0 112.355 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.7 t -118.05 155.41 30.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -170.59 80.47 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.088 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -64.85 145.88 55.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -168.16 -50.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.67 154.47 31.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -168.93 -70.3 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.483 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 175.42 8.16 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.697 2.265 . . . . 0.0 112.337 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.0 m 58.92 59.1 2.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.95 -44.84 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.471 179.979 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 m -60.58 -72.4 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.877 0.37 . . . . 0.0 110.874 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t 62.21 67.52 0.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.38 -40.21 1.45 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.1 m 57.02 83.32 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 0.0 110.844 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -149.11 90.76 1.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.24 -105.74 1.91 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.516 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.2 t -167.58 -61.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.358 . . . . 0.0 110.886 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -116.73 71.07 5.05 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.614 0.721 . . . . 0.0 110.9 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 174.7 9.14 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.641 2.228 . . . . 0.0 112.358 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -156.03 143.35 19.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.916 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.8 pp -85.44 152.33 23.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -110.46 -65.52 1.15 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.5 mmt85 -148.41 116.46 6.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -159.46 135.74 9.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.774 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.44 HG23 ' HD2' ' A' ' 17' ' ' PRO . 65.3 mt -91.45 133.09 31.94 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.624 0.726 . . . . 0.0 111.116 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.44 ' HD2' HG23 ' A' ' 16' ' ' ILE . 54.0 Cg_endo -69.82 -172.43 0.58 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.688 2.259 . . . . 0.0 112.33 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.97 112.14 25.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -78.06 -26.3 48.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.518 HG23 ' HB3' ' A' ' 84' ' ' GLN . 30.2 p -83.37 61.05 5.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.139 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -165.19 27.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.119 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -110.01 141.58 42.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.6 t -128.69 -42.17 1.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.191 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.4 p -124.1 137.1 54.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.511 HG21 ' O ' ' A' ' 46' ' ' PHE . 98.0 t -52.07 -29.64 11.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.142 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.555 ' OD2' HD11 ' A' ' 42' ' ' LEU . 2.0 m-20 -61.88 -34.56 76.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.45 -49.57 12.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.45 ' CE3' HD11 ' A' ' 49' ' ' LEU . 12.6 t90 -52.94 -56.5 15.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.616 HD12 ' HA ' ' A' ' 38' ' ' ARG . 58.1 mt -55.76 -36.57 67.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.4 t -69.66 -18.18 63.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.19 -7.33 55.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.096 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.5 HD11 HD23 ' A' ' 29' ' ' LEU . 10.0 pt -122.98 11.08 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.13 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt 67.45 12.49 8.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 60.7 mmm -104.85 22.79 14.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.434 HG22 ' HE ' ' A' ' 38' ' ' ARG . 0.5 OUTLIER -58.13 -21.98 18.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.164 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -55.6 -25.36 38.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -100.78 27.56 5.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.616 ' HA ' HD12 ' A' ' 29' ' ' LEU . 8.0 ptp180 -72.85 -27.08 61.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.605 ' O ' HG22 ' A' ' 43' ' ' THR . 1.2 m-20 -88.28 -27.63 21.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.641 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.9 OUTLIER -62.88 -43.17 99.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.793 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.494 ' HD2' HD11 ' A' ' 29' ' ' LEU . 57.4 m-85 -79.15 -44.18 22.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.834 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.555 HD11 ' OD2' ' A' ' 26' ' ' ASP . 15.3 mt -52.1 -63.14 1.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.605 HG22 ' O ' ' A' ' 39' ' ' ASP . 14.6 t -56.69 -30.86 63.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.24 -19.96 64.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.26 -17.43 24.12 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.505 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.511 ' O ' HG21 ' A' ' 25' ' ' VAL . 27.2 m-85 -77.42 74.21 3.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.882 0.372 . . . . 0.0 110.899 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.4 p -81.69 -34.51 30.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.104 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 38.0 m -106.68 140.32 39.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.713 ' O ' HG23 ' A' ' 53' ' ' THR . 4.3 mm? -59.65 -27.86 66.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -55.35 -26.29 40.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 74.5 mt -90.41 -26.04 20.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.3 t -80.89 -30.77 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.713 HG23 ' O ' ' A' ' 49' ' ' LEU . 67.4 p -57.86 -24.2 56.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -105.33 30.29 5.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 34.5 mmt -110.14 -176.13 2.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.664 HG23 ' H ' ' A' ' 58' ' ' GLU . 14.5 t -152.06 174.08 14.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.11 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.557 ' HB2' HD11 ' A' ' 75' ' ' LEU . 13.4 t -52.02 -30.15 24.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.664 ' H ' HG23 ' A' ' 56' ' ' THR . 42.6 mt-10 -61.38 -36.22 79.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -70.76 -32.56 69.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.0 mt -66.08 -40.98 91.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.908 HD23 HG22 ' A' ' 66' ' ' THR . 0.3 OUTLIER -74.33 -19.22 60.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.891 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -74.89 -42.09 58.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.905 HD11 HD12 ' A' ' 65' ' ' ILE . 33.2 pt -77.04 -30.21 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 148.82 -36.35 1.06 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.506 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.905 HD12 HD11 ' A' ' 63' ' ' ILE . 59.0 mt -51.74 103.05 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.924 0.392 . . . . 0.0 111.159 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.908 HG22 HD23 ' A' ' 61' ' ' LEU . 23.9 p -124.73 13.52 8.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -81.47 106.72 13.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.12 -32.5 55.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.082 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -79.32 -19.33 72.06 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.542 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.4 m170 -91.38 -45.65 8.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.775 0.322 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -53.11 -39.96 63.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.95 -27.84 33.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -84.61 -46.27 11.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.465 HG22 ' CD1' ' A' ' 78' ' ' ILE . 79.7 mt -57.85 -61.23 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.127 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.557 HD11 ' HB2' ' A' ' 57' ' ' SER . 5.1 mt -52.49 -45.13 66.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 29.6 m-20 -56.08 -26.17 48.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.8 t -91.14 -44.39 9.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.465 ' CD1' HG22 ' A' ' 74' ' ' ILE . 80.7 mt -61.46 -44.97 99.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.082 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.606 ' O ' HG23 ' A' ' 83' ' ' VAL . 2.8 t-160 -57.13 -37.75 72.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.8 t -82.17 -26.44 33.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.591 ' CE ' HD12 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -67.52 -50.4 58.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -60.55 -42.84 97.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 79' ' ' HIS . 97.9 t -62.2 -25.39 37.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.518 ' HB3' HG23 ' A' ' 20' ' ' THR . 31.8 mm-40 -93.15 -74.44 0.53 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 23.5 pt -80.55 -177.82 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.149 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 29.9 t 54.15 90.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.817 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -57.71 127.31 31.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -168.9 160.5 8.15 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.675 0.75 . . . . 0.0 110.86 -179.766 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.7 104.24 1.28 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.664 2.243 . . . . 0.0 112.357 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -151.34 131.66 13.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -151.95 140.18 20.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.1 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.02 165.73 26.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -105.94 158.71 16.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 10.4 p -111.11 161.98 15.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.824 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 58.66 72.51 0.59 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.439 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 99.74 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.645 2.23 . . . . 0.0 112.323 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 11.6 m 54.82 74.02 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 m -62.8 117.88 6.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.463 -179.964 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.9 m 56.86 79.14 0.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.841 0.353 . . . . 0.0 110.865 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.0 120.99 35.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.84 -86.51 1.62 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.454 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 m 59.79 66.81 0.94 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.895 0.378 . . . . 0.0 110.864 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.1 p -143.24 170.48 15.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.82 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.39 176.51 44.63 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.475 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.3 t -110.34 167.45 10.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.796 0.331 . . . . 0.0 110.875 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.43 160.54 1.29 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.609 0.719 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 81.51 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.643 2.229 . . . . 0.0 112.349 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.8 mt -124.44 164.64 19.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.928 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 mp 59.97 83.32 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.57 -36.64 84.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 55.66 -175.3 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.17 34.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.442 HG23 ' HD2' ' A' ' 17' ' ' PRO . 60.8 mt -110.13 133.05 21.14 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.639 0.733 . . . . 0.0 111.114 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.442 ' HD2' HG23 ' A' ' 16' ' ' ILE . 53.8 Cg_endo -69.74 -171.72 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.683 2.255 . . . . 0.0 112.326 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -101.97 112.44 25.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -76.96 -26.33 53.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 35.7 p -93.09 42.63 1.1 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.16 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.1 25.33 4.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.166 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -112.5 -177.53 3.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.5 t -167.06 -41.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -133.09 153.62 51.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.461 HG21 ' O ' ' A' ' 46' ' ' PHE . 39.0 t -51.89 -50.32 33.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -52.88 -32.42 44.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.73 -51.74 8.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.862 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.487 ' CZ3' HG11 ' A' ' 52' ' ' VAL . 12.9 t90 -53.21 -55.26 25.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.573 HD11 ' HD2' ' A' ' 41' ' ' PHE . 79.5 mt -55.57 -36.89 67.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.8 t -69.82 -18.49 63.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.869 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.26 -5.59 57.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.074 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.512 HD11 HD23 ' A' ' 29' ' ' LEU . 11.3 pt -124.87 10.98 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.143 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt 67.57 12.38 8.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 59.0 mmm -104.65 22.6 14.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -58.37 -21.51 18.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -55.56 -25.47 38.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.958 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -99.99 27.25 5.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.532 ' HA ' HD12 ' A' ' 29' ' ' LEU . 6.5 ptp180 -71.85 -25.66 62.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.569 ' O ' HG22 ' A' ' 43' ' ' THR . 3.0 m-20 -90.22 -27.85 19.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.795 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -62.81 -43.22 99.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.737 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.573 ' HD2' HD11 ' A' ' 29' ' ' LEU . 53.9 m-85 -76.65 -43.92 36.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.9 mt -52.95 -61.53 2.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.569 HG22 ' O ' ' A' ' 39' ' ' ASP . 14.6 t -60.6 -30.73 70.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.03 -20.3 65.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.98 -17.21 20.09 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.512 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.461 ' O ' HG21 ' A' ' 25' ' ' VAL . 28.0 m-85 -81.04 89.07 5.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.859 0.361 . . . . 0.0 110.859 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 67.4 p -96.91 -25.62 15.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 69.6 m -111.92 146.91 36.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.47 HD21 ' CB ' ' A' ' 28' ' ' TRP . 25.5 mt -67.3 -30.77 70.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.93 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -54.18 -28.24 39.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.7 mt -88.82 -26.4 21.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.487 HG11 ' CZ3' ' A' ' 28' ' ' TRP . 89.9 t -80.68 -25.13 11.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.113 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.731 HG22 ' HB3' ' A' ' 81' ' ' MET . 21.7 p -65.05 -24.96 67.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.16 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -103.04 26.22 8.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 34.4 mmt -100.4 -176.43 3.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.655 HG23 ' H ' ' A' ' 58' ' ' GLU . 14.6 t -148.84 173.84 12.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.154 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.759 ' HB3' HD11 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -52.11 -30.08 24.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 -179.859 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.655 ' H ' HG23 ' A' ' 56' ' ' THR . 40.4 mt-10 -63.36 -47.17 83.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -52.62 -33.24 45.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.5 mt -68.82 -43.33 75.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 1.049 HD23 HG22 ' A' ' 66' ' ' THR . 0.4 OUTLIER -74.63 -19.23 60.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.911 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -74.72 -40.61 61.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.854 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.881 HD11 HD12 ' A' ' 65' ' ' ILE . 34.5 pt -79.1 -27.4 13.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.567 ' O ' HG23 ' A' ' 66' ' ' THR . . . 145.72 -36.56 1.33 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.457 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.881 HD12 HD11 ' A' ' 63' ' ' ILE . 63.6 mt -51.64 103.24 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.926 0.393 . . . . 0.0 111.115 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . 1.049 HG22 HD23 ' A' ' 61' ' ' LEU . 77.3 p -124.21 15.96 9.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -81.69 114.92 20.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.98 -31.52 69.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.103 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -80.94 -20.19 65.87 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.495 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -90.51 -44.01 9.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.773 0.32 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -55.26 -39.86 70.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.46 -26.08 40.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -85.36 -51.89 6.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.439 HG23 ' HH2' ' A' ' 28' ' ' TRP . 77.3 mt -52.94 -61.41 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.759 HD11 ' HB3' ' A' ' 57' ' ' SER . 60.4 mt -52.13 -46.79 65.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.949 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -54.76 -27.05 38.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.99 -51.52 5.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 64.3 mt -52.41 -43.88 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.145 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.62 ' O ' HG23 ' A' ' 83' ' ' VAL . 2.3 t-160 -59.05 -36.23 74.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.6 m -81.23 -26.53 35.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.731 ' HB3' HG22 ' A' ' 53' ' ' THR . 0.9 OUTLIER -69.46 -55.68 9.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.1 ptt180 -52.13 -41.68 62.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 79' ' ' HIS . 91.6 t -61.35 -49.71 83.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.136 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -70.37 -74.3 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.959 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 43.6 pt -83.94 149.77 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.095 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 29.3 p -166.35 36.51 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.1 178.21 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.893 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.2 m -107.86 160.59 26.24 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.678 0.751 . . . . 0.0 110.837 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 80.48 0.89 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.679 2.253 . . . . 0.0 112.327 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 16.4 p -127.12 162.8 25.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.194 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -135.44 155.33 50.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.097 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 12.2 mtt -134.81 178.67 6.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -118.68 26.06 9.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.072 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 26.2 t -130.66 102.54 6.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -137.53 71.01 0.47 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.503 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 130.69 19.77 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.659 2.239 . . . . 0.0 112.377 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 46.4 t -59.94 120.56 9.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.1 t 61.47 -177.57 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.516 179.961 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -151.92 91.11 1.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.891 0.377 . . . . 0.0 110.814 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.77 144.63 29.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.53 55.08 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.433 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -148.85 86.95 1.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.84 0.352 . . . . 0.0 110.838 -179.722 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.33 120.07 38.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.45 -168.16 17.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.489 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.6 t 56.74 58.9 3.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 110.813 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 55.2 mm-40 55.6 68.35 2.48 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.572 0.701 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 123.42 10.07 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.331 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 56.0 -173.62 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -89.98 105.27 17.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -94.17 -68.11 0.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.819 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -130.1 26.92 5.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 55.94 41.78 29.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.451 HG23 ' HD2' ' A' ' 17' ' ' PRO . 41.7 mm -87.75 133.16 38.35 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.629 0.728 . . . . 0.0 111.157 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.451 ' HD2' HG23 ' A' ' 16' ' ' ILE . 53.6 Cg_endo -69.79 179.43 3.72 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.661 2.24 . . . . 0.0 112.329 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -91.91 112.73 24.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -84.09 -26.95 28.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.1 p -93.6 40.96 1.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.126 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.65 25.23 4.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.086 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -114.12 178.82 4.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.5 t -162.35 -42.4 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.128 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -133.1 156.61 47.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.528 HG21 ' O ' ' A' ' 46' ' ' PHE . 46.5 t -53.86 -49.77 56.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.13 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -53.71 -30.87 45.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.97 -51.25 8.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.822 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.61 ' CZ3' HG11 ' A' ' 52' ' ' VAL . 13.4 t90 -53.93 -55.02 30.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.595 HD11 ' HD2' ' A' ' 41' ' ' PHE . 76.6 mt -55.77 -36.63 67.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.0 t -70.13 -17.69 63.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.82 -7.75 53.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.54 HD11 HD23 ' A' ' 29' ' ' LEU . 10.8 pt -122.47 11.5 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.106 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 67.1 12.75 9.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.948 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 85.4 mmm -105.0 22.76 14.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.942 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.15 -21.95 18.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -55.48 -25.57 37.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -100.03 27.5 5.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.977 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.545 ' HA ' HD12 ' A' ' 29' ' ' LEU . 3.6 ptp85 -71.85 -25.94 62.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.854 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.613 ' O ' HG22 ' A' ' 43' ' ' THR . 1.1 m-20 -88.46 -29.01 20.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.853 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.795 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -62.43 -43.93 97.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.771 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.595 ' HD2' HD11 ' A' ' 29' ' ' LEU . 54.2 m-85 -76.91 -40.4 47.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.9 mt -57.92 -57.9 10.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.613 HG22 ' O ' ' A' ' 39' ' ' ASP . 14.6 t -63.36 -30.74 71.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.157 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.88 -20.3 65.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.73 -16.94 20.91 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.522 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.528 ' O ' HG21 ' A' ' 25' ' ' VAL . 27.7 m-85 -81.31 87.1 6.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.914 0.388 . . . . 0.0 110.885 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 46.4 p -95.28 -25.3 16.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.144 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.6 m -112.11 137.46 50.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 22.0 mt -58.27 -28.71 65.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -54.22 -27.62 35.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.6 mt -90.72 -26.09 19.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.61 HG11 ' CZ3' ' A' ' 28' ' ' TRP . 96.1 t -75.47 -29.34 20.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.092 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.671 HG22 ' HB3' ' A' ' 81' ' ' MET . 31.2 p -61.77 -24.81 67.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -101.12 25.62 7.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 38.7 mmt -104.81 166.73 10.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.821 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.6 t -136.36 173.84 11.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.767 ' HB3' HD11 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -52.19 -39.06 59.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.875 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -58.94 -41.15 86.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -59.72 -34.37 72.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.824 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.0 mt -67.6 -34.89 77.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.951 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.884 HD23 HG22 ' A' ' 66' ' ' THR . 0.4 OUTLIER -77.09 -18.57 57.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.9 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.7 mtm180 -77.32 -37.24 52.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.949 HD11 HD12 ' A' ' 65' ' ' ILE . 36.7 pt -80.58 -27.14 11.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.618 ' O ' HG23 ' A' ' 66' ' ' THR . . . 145.8 -36.43 1.33 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.538 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.949 HD12 HD11 ' A' ' 63' ' ' ILE . 53.5 mt -55.12 100.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 0.0 111.138 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.884 HG22 HD23 ' A' ' 61' ' ' LEU . 68.3 p -121.55 13.98 10.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.172 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -81.21 126.57 31.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.24 -32.15 69.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.082 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -79.44 -20.19 69.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.445 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 47.0 m170 -89.98 -45.74 8.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.777 0.322 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -54.05 -38.32 65.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -56.27 -25.86 49.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -85.59 -52.25 5.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.5 HG22 ' CD1' ' A' ' 78' ' ' ILE . 79.5 mt -53.77 -60.96 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.142 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.767 HD11 ' HB3' ' A' ' 57' ' ' SER . 47.4 mt -53.2 -41.66 65.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -58.73 -26.18 63.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.62 -48.72 6.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.5 ' CD1' HG22 ' A' ' 74' ' ' ILE . 78.3 mt -55.1 -46.46 77.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.62 ' O ' HG23 ' A' ' 83' ' ' VAL . 2.4 t-160 -56.32 -36.15 68.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.818 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.6 m -81.86 -26.44 34.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.838 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.671 ' HB3' HG22 ' A' ' 53' ' ' THR . 0.7 OUTLIER -69.79 -55.47 9.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.888 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 -52.12 -41.85 62.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 79' ' ' HIS . 92.8 t -60.56 -44.46 96.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -75.94 -74.39 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 40.7 pt -82.89 148.98 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.091 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 t -175.89 132.02 0.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.68 113.29 22.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.62 160.57 1.36 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.627 0.727 . . . . 0.0 110.877 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -37.54 8.99 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.726 2.284 . . . . 0.0 112.339 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -71.59 145.65 48.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -128.01 92.9 3.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.081 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -70.87 -63.06 1.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 59.01 25.87 14.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.3 m 57.96 62.85 1.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -77.55 -74.37 1.0 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.469 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 93.97 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.689 2.259 . . . . 0.0 112.301 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.7 m -100.68 -51.15 3.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.9 m -145.32 119.81 9.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.832 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.525 179.997 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.432 HG21 ' O ' ' A' ' 46' ' ' PHE . 22.8 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.842 0.353 . . . . 0.0 111.15 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.402 ' OD1' HD11 ' A' ' 42' ' ' LEU . 8.9 m-20 -54.3 -38.23 65.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.32 -50.97 12.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.512 ' CB ' HD21 ' A' ' 49' ' ' LEU . 13.1 t90 -53.39 -55.61 23.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.569 HD12 ' HA ' ' A' ' 38' ' ' ARG . 73.1 mt -55.68 -36.82 67.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.8 t -69.8 -18.3 63.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.34 -6.79 56.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.136 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.496 HD11 HD23 ' A' ' 29' ' ' LEU . 11.1 pt -123.43 11.25 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt 67.19 12.66 9.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 87.0 mmm -105.05 22.79 14.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.412 HG22 ' HE ' ' A' ' 38' ' ' ARG . 0.5 OUTLIER -58.25 -21.64 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.158 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -55.52 -25.46 37.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.926 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -100.24 27.47 5.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.569 ' HA ' HD12 ' A' ' 29' ' ' LEU . 6.6 ptp180 -72.23 -25.75 61.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.86 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.579 ' O ' HG22 ' A' ' 43' ' ' THR . 1.9 m-20 -90.43 -27.53 19.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.744 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -62.82 -43.15 99.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.815 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.549 ' HD2' HD11 ' A' ' 29' ' ' LEU . 55.1 m-85 -77.37 -41.89 38.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.895 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.421 HD23 HG22 ' A' ' 47' ' ' THR . 19.2 mt -55.43 -60.5 3.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.579 HG22 ' O ' ' A' ' 39' ' ' ASP . 13.9 t -61.76 -30.44 70.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.88 -20.39 65.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.08 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.8 -17.04 20.67 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.516 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.432 ' O ' HG21 ' A' ' 25' ' ' VAL . 27.6 m-85 -83.14 88.33 6.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.37 . . . . 0.0 110.907 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.421 HG22 HD23 ' A' ' 42' ' ' LEU . 61.7 p -95.55 -25.02 16.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.176 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.2 m -114.03 137.88 51.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.512 HD21 ' CB ' ' A' ' 28' ' ' TRP . 20.2 mt -58.08 -28.75 64.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.927 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -54.29 -28.22 40.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 85.3 mt -89.41 -28.8 19.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.939 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 91.2 t -76.83 -25.92 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.171 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.642 HG22 ' HB3' ' A' ' 81' ' ' MET . 28.9 p -63.94 -25.2 68.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.114 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -102.7 26.32 8.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 35.7 mmt -103.0 -176.67 3.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.59 HG23 ' H ' ' A' ' 58' ' ' GLU . 14.6 t -150.0 173.77 13.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.165 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.653 ' HB3' HD11 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -52.08 -32.71 36.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.83 -179.859 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.59 ' H ' HG23 ' A' ' 56' ' ' THR . 36.5 mt-10 -61.11 -45.53 94.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -56.06 -33.03 64.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.4 mt -64.65 -42.35 95.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.572 HD23 HG22 ' A' ' 66' ' ' THR . 0.2 OUTLIER -74.74 -18.94 60.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.6 mtp85 -75.6 -39.27 58.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.873 HD11 HD12 ' A' ' 65' ' ' ILE . 37.7 pt -80.3 -27.57 11.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.091 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.585 ' O ' HG23 ' A' ' 66' ' ' THR . . . 146.32 -37.03 1.25 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.473 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.873 HD12 HD11 ' A' ' 63' ' ' ILE . 61.4 mt -51.57 103.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.894 0.378 . . . . 0.0 111.12 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 64' ' ' GLY . 71.4 p -124.08 25.11 7.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.615 HD22 ' CE1' ' A' ' 70' ' ' HIS . 0.2 OUTLIER -99.76 107.92 20.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.913 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.5 -34.25 61.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.084 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -75.26 -19.6 79.52 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.546 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.615 ' CE1' HD22 ' A' ' 67' ' ' LEU . 36.4 m170 -93.2 -42.19 9.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.756 0.313 . . . . 0.0 110.858 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -61.21 -27.23 68.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -27.37 68.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.0 tttp -86.24 -47.4 9.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.44 HG23 ' HH2' ' A' ' 28' ' ' TRP . 73.1 mt -56.11 -61.03 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.653 HD11 ' HB3' ' A' ' 57' ' ' SER . 29.9 mt -52.87 -40.24 63.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.67 -28.63 67.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.1 t -88.51 -50.66 6.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.888 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 69.2 mt -51.87 -47.69 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.087 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -54.41 -45.3 72.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.825 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.63 -27.12 61.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.642 ' HB3' HG22 ' A' ' 53' ' ' THR . 1.3 mtm -68.18 -57.91 5.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.857 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 89.1 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.799 0.333 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -58.67 -34.67 71.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.51 -48.22 14.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.412 ' CH2' HG23 ' A' ' 74' ' ' ILE . 10.7 t90 -53.6 -56.87 13.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.593 HD11 ' CD2' ' A' ' 41' ' ' PHE . 92.3 mt -55.92 -35.56 66.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.2 t -69.66 -18.24 63.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.823 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.9 -7.5 55.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.071 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.588 HD11 HD23 ' A' ' 29' ' ' LEU . 10.6 pt -122.59 10.9 5.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.111 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.6 mttt 67.36 12.56 8.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 86.5 mmm -105.27 23.49 13.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.478 HG22 ' HE ' ' A' ' 38' ' ' ARG . 0.5 OUTLIER -58.88 -20.85 17.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.139 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -55.51 -25.37 36.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -100.72 27.6 5.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.957 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.505 ' HA ' HD12 ' A' ' 29' ' ' LEU . 7.6 ptp180 -72.91 -25.97 61.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.672 ' O ' HG22 ' A' ' 43' ' ' THR . 2.1 m-20 -87.9 -30.41 20.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.65 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.7 OUTLIER -58.19 -45.44 87.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.777 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.593 ' CD2' HD11 ' A' ' 29' ' ' LEU . 66.3 m-85 -73.35 -45.42 55.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 25.5 mt -52.38 -64.04 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.672 HG22 ' O ' ' A' ' 39' ' ' ASP . 10.0 t -55.75 -33.81 64.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.451 ' CB ' HG22 ' A' ' 63' ' ' ILE . . . -67.45 -19.94 65.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.093 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.82 -17.22 22.94 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -81.48 86.15 6.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.934 0.397 . . . . 0.0 110.883 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 75.7 p -88.53 -34.42 17.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.151 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 44.4 m -105.3 161.54 14.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.706 ' O ' HG23 ' A' ' 53' ' ' THR . 4.3 mm? -75.56 -31.21 59.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -53.79 -28.1 33.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.3 mt -88.4 -25.91 22.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.2 t -80.65 -30.26 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.086 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.706 HG23 ' O ' ' A' ' 49' ' ' LEU . 50.7 p -60.21 -24.46 64.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.193 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -101.32 26.03 7.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 33.8 mmt -106.38 -175.75 2.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.558 HG23 ' H ' ' A' ' 58' ' ' GLU . 14.5 t -151.76 174.1 13.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.154 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.704 ' HB3' HD11 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -51.99 -34.35 42.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.839 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.558 ' H ' HG23 ' A' ' 56' ' ' THR . 45.1 mt-10 -60.22 -47.51 85.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.921 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -55.41 -34.99 64.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 15.2 mt -61.2 -40.5 94.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.03 -19.25 60.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -75.49 -39.29 58.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.874 HD11 HD12 ' A' ' 65' ' ' ILE . 37.5 pt -80.0 -28.06 12.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.67 ' O ' HG23 ' A' ' 66' ' ' THR . . . 146.87 -37.01 1.2 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.486 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.874 HD12 HD11 ' A' ' 63' ' ' ILE . 61.0 mt -51.77 103.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.915 0.388 . . . . 0.0 111.088 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.67 HG23 ' O ' ' A' ' 64' ' ' GLY . 63.8 p -125.87 38.47 4.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.133 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.602 HD22 ' CE1' ' A' ' 70' ' ' HIS . 0.2 OUTLIER -113.93 106.99 15.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.9 -34.34 59.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.119 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -74.41 -20.57 79.56 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.465 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.602 ' CE1' HD22 ' A' ' 67' ' ' LEU . 37.4 m170 -92.51 -49.85 5.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.773 0.321 . . . . 0.0 110.843 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -52.88 -30.53 34.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -33.13 69.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.0 tttp -83.05 -40.9 19.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.57 HG22 ' CD1' ' A' ' 78' ' ' ILE . 80.2 mt -61.87 -60.74 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.704 HD11 ' HB3' ' A' ' 57' ' ' SER . 33.0 mt -52.71 -42.63 65.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.935 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -55.61 -26.2 42.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.31 -43.58 8.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.57 ' CD1' HG22 ' A' ' 74' ' ' ILE . 77.2 mt -58.6 -40.67 79.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.143 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -64.94 -45.34 86.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 14.8 t -70.66 -26.67 63.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.849 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.561 ' CE ' HD12 ' A' ' 49' ' ' LEU . 1.2 mtm -68.38 -58.93 3.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.839 -179.925 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.495 HG21 ' O ' ' A' ' 46' ' ' PHE . 58.9 t . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.793 0.33 . . . . 0.0 111.069 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -52.56 -34.49 50.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -76.99 -50.65 12.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.605 ' CZ3' HG11 ' A' ' 52' ' ' VAL . 13.1 t90 -55.47 -56.8 15.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.579 HD12 ' HA ' ' A' ' 38' ' ' ARG . 71.3 mt -55.6 -37.14 67.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.913 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.9 t -69.7 -18.23 63.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.39 -6.43 56.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.123 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.485 HD11 HD23 ' A' ' 29' ' ' LEU . 11.2 pt -124.01 11.38 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.1 mtmt 67.11 12.66 9.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.962 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 87.5 mmm -105.14 22.84 14.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.823 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.17 -21.86 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.148 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 28.2 pt20 -55.46 -25.48 36.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -100.03 27.51 5.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.579 ' HA ' HD12 ' A' ' 29' ' ' LEU . 3.8 ptp85 -71.79 -26.2 62.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.655 ' O ' HG22 ' A' ' 43' ' ' THR . 1.0 OUTLIER -90.88 -27.48 18.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.62 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -61.7 -43.31 99.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.79 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.556 ' HD2' HD11 ' A' ' 29' ' ' LEU . 59.1 m-85 -77.23 -41.65 40.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 26.9 mt -54.99 -60.05 3.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.655 HG22 ' O ' ' A' ' 39' ' ' ASP . 11.7 t -60.46 -33.21 72.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.182 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.448 ' CB ' HG22 ' A' ' 63' ' ' ILE . . . -64.54 -21.28 66.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.081 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 107.44 16.46 13.13 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.452 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.495 ' O ' HG21 ' A' ' 25' ' ' VAL . 27.6 m-85 -113.66 87.42 2.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.993 0.425 . . . . 0.0 110.846 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.9 p -97.6 -25.24 15.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.101 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.9 m -107.99 138.57 44.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.858 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.9 mt -59.78 -31.03 69.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -52.96 -30.43 34.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.957 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.6 mt -87.38 -26.26 23.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.605 HG11 ' CZ3' ' A' ' 28' ' ' TRP . 99.6 t -78.29 -23.02 13.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.163 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.528 HG22 ' HB3' ' A' ' 81' ' ' MET . 34.1 p -67.0 -21.25 65.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -105.5 25.66 10.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 26.2 mtp -96.09 162.57 13.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.456 HG23 ' H ' ' A' ' 58' ' ' GLU . 14.7 t -136.54 173.47 11.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.069 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.487 ' HA ' HD21 ' A' ' 75' ' ' LEU . 0.7 OUTLIER -52.37 -36.59 54.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.895 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.456 ' H ' HG23 ' A' ' 56' ' ' THR . 27.5 mt-10 -68.04 -32.05 72.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -68.17 -26.09 65.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.1 mt -74.65 -37.78 62.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.556 HD23 HG22 ' A' ' 66' ' ' THR . 0.2 OUTLIER -75.06 -18.93 60.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -75.72 -38.06 58.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.831 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.859 HD11 HD12 ' A' ' 65' ' ' ILE . 37.9 pt -81.65 -25.66 9.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.465 ' O ' HG23 ' A' ' 66' ' ' THR . . . 144.16 -37.16 1.43 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.475 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.859 HD12 HD11 ' A' ' 63' ' ' ILE . 64.6 mt -51.66 103.2 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.926 0.394 . . . . 0.0 111.102 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.556 HG22 HD23 ' A' ' 61' ' ' LEU . 45.3 p -124.67 33.9 5.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.103 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.92 106.16 15.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.2 -33.75 63.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -74.85 -19.6 79.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.517 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 34.1 m170 -93.8 -48.7 6.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.803 0.335 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -52.43 -30.5 29.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.68 -35.14 68.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -81.17 -38.66 26.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.431 HD13 HD13 ' A' ' 65' ' ' ILE . 66.6 mt -64.5 -62.66 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.134 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.487 HD21 ' HA ' ' A' ' 57' ' ' SER . 9.9 mt -52.81 -40.75 63.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 -57.69 -27.94 63.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.9 t -89.79 -40.0 12.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.431 ' CD1' HG22 ' A' ' 74' ' ' ILE . 75.8 mt -61.2 -46.14 97.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -60.97 -35.47 76.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.7 m -79.95 -26.45 40.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.528 ' HB3' HG22 ' A' ' 53' ' ' THR . 1.4 mtm -70.66 -55.34 8.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.445 HG21 ' O ' ' A' ' 46' ' ' PHE . 96.5 t . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.831 0.348 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -60.95 -35.35 76.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -76.65 -50.79 12.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.439 ' CE3' HD11 ' A' ' 49' ' ' LEU . 12.7 t90 -52.86 -56.08 18.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.922 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.604 HD12 ' HA ' ' A' ' 38' ' ' ARG . 64.8 mt -55.7 -36.59 67.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.8 t -69.87 -18.36 63.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.32 -6.16 56.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.08 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.5 HD11 HD23 ' A' ' 29' ' ' LEU . 10.9 pt -124.19 11.17 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.156 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.0 mttt 67.37 12.52 8.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 84.8 mmm -104.97 22.62 14.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -57.8 -22.13 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.101 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -55.44 -25.41 36.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -100.31 27.61 5.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.604 ' HA ' HD12 ' A' ' 29' ' ' LEU . 3.4 ptp85 -72.15 -26.51 62.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.634 ' O ' HG22 ' A' ' 43' ' ' THR . 0.5 OUTLIER -87.97 -30.5 19.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.596 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.7 OUTLIER -58.58 -45.42 89.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.83 -179.764 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.478 ' HD2' HD11 ' A' ' 29' ' ' LEU . 64.9 m-85 -77.39 -42.65 35.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.8 mt -54.37 -62.8 1.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.634 HG22 ' O ' ' A' ' 39' ' ' ASP . 14.7 t -57.46 -30.95 65.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.51 -19.95 64.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 111.61 -17.39 25.71 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.503 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.445 ' O ' HG21 ' A' ' 25' ' ' VAL . 25.6 m-85 -78.4 77.56 4.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.922 0.391 . . . . 0.0 110.912 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 58.1 p -84.71 -32.0 23.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 m -107.82 134.89 50.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.496 HD12 ' CE ' ' A' ' 81' ' ' MET . 4.3 mm? -52.75 -29.37 26.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.932 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -53.05 -28.92 26.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.9 mt -89.15 -26.1 21.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.419 HG11 ' CZ3' ' A' ' 28' ' ' TRP . 93.4 t -77.94 -30.29 16.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.611 HG22 ' HB3' ' A' ' 81' ' ' MET . 32.4 p -60.82 -24.36 65.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -101.21 25.7 7.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 39.0 mmt -105.47 -178.03 3.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.486 HG23 ' H ' ' A' ' 58' ' ' GLU . 14.5 t -152.26 174.49 13.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.127 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.702 ' N ' HD21 ' A' ' 75' ' ' LEU . 0.2 OUTLIER -52.09 -37.08 52.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.837 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.486 ' H ' HG23 ' A' ' 56' ' ' THR . 58.0 mt-10 -61.35 -42.13 98.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.886 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -61.64 -29.06 69.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.5 mt -67.61 -36.86 81.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.01 -18.95 59.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -76.48 -38.1 55.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.903 HD11 HD12 ' A' ' 65' ' ' ILE . 37.0 pt -80.44 -27.76 11.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.094 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.649 ' O ' HG23 ' A' ' 66' ' ' THR . . . 146.46 -36.8 1.25 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.464 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.903 HD12 HD11 ' A' ' 63' ' ' ILE . 59.3 mt -52.94 102.26 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.93 0.395 . . . . 0.0 111.124 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.649 HG23 ' O ' ' A' ' 64' ' ' GLY . 59.4 p -123.22 39.0 4.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.124 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.24 111.42 20.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.947 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.22 -30.39 69.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -79.68 -20.31 68.85 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.49 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 34.7 m170 -93.94 -37.98 11.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.723 0.297 . . . . 0.0 110.847 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -61.49 -32.57 72.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.05 -38.19 64.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -74.78 -45.85 40.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.534 HG22 ' CD1' ' A' ' 78' ' ' ILE . 75.6 mt -57.67 -62.33 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.702 HD21 ' N ' ' A' ' 57' ' ' SER . 12.1 mt -53.44 -39.82 64.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -58.45 -26.31 63.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.56 -40.73 10.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.858 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.534 ' CD1' HG22 ' A' ' 74' ' ' ILE . 79.2 mt -63.43 -45.08 98.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -56.9 -39.16 73.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.57 -26.45 34.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.611 ' HB3' HG22 ' A' ' 53' ' ' THR . 0.5 OUTLIER -68.92 -47.98 64.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.861 179.906 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 98.9 t . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.845 0.355 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.617 ' OD2' HD11 ' A' ' 42' ' ' LEU . 1.1 m-20 -62.84 -36.38 83.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.46 -49.29 13.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.454 ' CE3' HD11 ' A' ' 49' ' ' LEU . 11.8 t90 -52.72 -56.68 13.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.631 HD12 ' HA ' ' A' ' 38' ' ' ARG . 59.4 mt -55.79 -36.73 67.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.0 t -69.29 -17.89 63.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.14 -8.25 54.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.144 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.498 HD11 HD23 ' A' ' 29' ' ' LEU . 10.3 pt -121.98 11.22 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.203 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt 67.13 12.76 9.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.937 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 86.9 mmm -105.39 23.3 13.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.56 -21.34 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.134 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -55.46 -25.62 37.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -101.03 27.69 5.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.631 ' HA ' HD12 ' A' ' 29' ' ' LEU . 3.5 ptp85 -71.59 -26.04 62.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.624 ' O ' HG22 ' A' ' 43' ' ' THR . 1.1 m-20 -87.42 -32.39 19.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.588 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.2 OUTLIER -56.44 -46.73 80.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 -179.774 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.481 ' HD2' HD11 ' A' ' 29' ' ' LEU . 66.0 m-85 -75.23 -42.42 55.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.617 HD11 ' OD2' ' A' ' 26' ' ' ASP . 19.5 mt -55.74 -62.87 1.4 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.624 HG22 ' O ' ' A' ' 39' ' ' ASP . 14.8 t -57.74 -31.04 66.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.158 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.83 -20.04 65.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.107 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.88 -17.49 22.6 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.495 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -80.4 85.55 5.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.957 0.408 . . . . 0.0 110.887 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 44.8 p -92.67 -26.71 17.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.6 m -113.05 134.23 54.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.525 HD12 ' CE ' ' A' ' 81' ' ' MET . 4.3 mm? -53.31 -28.79 30.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.39 -29.76 25.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 81.1 mt -90.08 -25.93 20.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.955 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 92.6 t -77.11 -27.63 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.122 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.52 HG23 ' O ' ' A' ' 49' ' ' LEU . 70.4 p -63.17 -24.82 68.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -101.71 25.76 8.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 35.6 mmt -102.88 -176.18 3.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.5 t -153.2 174.26 14.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.147 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.636 ' HA ' HD21 ' A' ' 75' ' ' LEU . 0.4 OUTLIER -52.0 -42.45 62.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.883 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -57.16 -46.43 82.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -55.18 -28.55 53.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.6 mt -68.49 -37.47 80.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.464 ' HG ' HG22 ' A' ' 66' ' ' THR . 0.1 OUTLIER -75.54 -19.01 59.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.888 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.3 mtp85 -75.92 -38.82 57.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.888 HD11 HD12 ' A' ' 65' ' ' ILE . 36.9 pt -80.15 -27.56 12.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.527 ' O ' HG23 ' A' ' 66' ' ' THR . . . 146.12 -36.83 1.28 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.529 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.888 HD12 HD11 ' A' ' 63' ' ' ILE . 61.3 mt -52.22 102.78 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.914 0.387 . . . . 0.0 111.135 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.527 HG23 ' O ' ' A' ' 64' ' ' GLY . 73.8 p -124.21 38.53 4.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.175 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.13 104.96 11.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.25 -34.6 61.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.058 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -72.61 -20.77 79.72 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -94.17 -41.63 9.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.737 0.303 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -59.52 -29.71 68.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.961 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.28 -32.06 66.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.9 tttt -83.49 -45.16 13.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.447 HG22 ' CD1' ' A' ' 78' ' ' ILE . 78.8 mt -57.75 -60.45 2.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.185 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.636 HD21 ' HA ' ' A' ' 57' ' ' SER . 37.0 mt -52.77 -41.96 64.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -55.53 -26.35 42.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.5 t -94.09 -49.65 5.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.847 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.447 ' CD1' HG22 ' A' ' 74' ' ' ILE . 62.2 mt -53.06 -34.42 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -71.5 -47.67 53.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.7 m -67.21 -26.26 66.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.525 ' CE ' HD12 ' A' ' 49' ' ' LEU . 1.4 mtm -68.28 -57.95 5.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.857 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.855 -179.908 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.519 HG21 ' O ' ' A' ' 46' ' ' PHE . 98.4 t . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.756 0.312 . . . . 0.0 111.115 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -61.29 -34.86 75.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.01 -50.19 12.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.445 ' CE3' HD11 ' A' ' 49' ' ' LEU . 12.6 t90 -52.92 -56.43 15.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.613 HD12 ' HA ' ' A' ' 38' ' ' ARG . 62.1 mt -55.62 -36.48 67.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.944 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.8 t -69.95 -18.41 63.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.44 -5.44 57.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.128 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.512 HD11 HD23 ' A' ' 29' ' ' LEU . 10.5 pt -124.82 11.04 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.146 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt 67.54 12.44 8.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 81.0 mmm -104.92 22.68 14.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.414 HG22 ' HE ' ' A' ' 38' ' ' ARG . 0.6 OUTLIER -58.16 -21.93 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -55.55 -25.3 37.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -100.77 27.52 5.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.613 ' HA ' HD12 ' A' ' 29' ' ' LEU . 7.8 ptp180 -72.6 -26.85 61.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.638 ' O ' HG22 ' A' ' 43' ' ' THR . 1.0 OUTLIER -90.33 -26.46 19.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.796 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -63.25 -42.52 99.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.786 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.518 ' HD2' HD11 ' A' ' 29' ' ' LEU . 56.8 m-85 -78.52 -43.55 26.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.475 HD12 ' O ' ' A' ' 38' ' ' ARG . 13.7 mt -52.01 -60.91 2.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.638 HG22 ' O ' ' A' ' 39' ' ' ASP . 12.6 t -60.2 -32.85 71.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.66 -21.3 66.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.063 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 108.48 17.09 10.94 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.474 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.519 ' O ' HG21 ' A' ' 25' ' ' VAL . 28.0 m-85 -113.87 73.6 0.83 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.952 0.406 . . . . 0.0 110.879 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 48.3 p -78.51 -32.71 48.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.155 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.5 m -110.1 147.19 34.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.828 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.546 HD12 ' CE ' ' A' ' 81' ' ' MET . 4.3 mm? -63.43 -27.61 69.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.38 -27.39 36.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 66.1 mt -89.75 -25.87 20.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.5 t -80.98 -28.38 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.103 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.557 HG22 ' HB3' ' A' ' 81' ' ' MET . 38.3 p -62.12 -24.8 67.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.169 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -101.29 25.71 7.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 36.5 mmt -104.45 -175.98 2.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.664 HG23 ' H ' ' A' ' 58' ' ' GLU . 14.5 t -151.21 174.01 13.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.158 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.733 ' HB3' HD11 ' A' ' 75' ' ' LEU . 0.4 OUTLIER -52.02 -30.17 24.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.867 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.664 ' H ' HG23 ' A' ' 56' ' ' THR . 6.5 mt-10 -64.35 -41.45 96.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.859 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -59.88 -36.92 77.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.853 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 19.7 mt -63.95 -41.89 97.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.845 HD23 HG22 ' A' ' 66' ' ' THR . 0.4 OUTLIER -75.38 -19.42 59.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.898 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -74.87 -40.23 61.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.886 HD11 HD12 ' A' ' 65' ' ' ILE . 34.4 pt -78.91 -28.21 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.549 ' O ' HG23 ' A' ' 66' ' ' THR . . . 146.64 -36.58 1.24 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.537 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.886 HD12 HD11 ' A' ' 63' ' ' ILE . 60.0 mt -52.35 102.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.912 0.387 . . . . 0.0 111.137 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.845 HG22 HD23 ' A' ' 61' ' ' LEU . 76.4 p -123.78 13.97 9.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -81.63 111.49 17.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.22 -40.95 68.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.082 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -71.7 -19.99 78.32 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.501 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.3 m170 -87.39 -48.64 7.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.756 0.312 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -53.8 -35.06 60.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -25.88 64.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -88.98 -47.07 8.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.506 HG22 ' CD1' ' A' ' 78' ' ' ILE . 75.6 mt -60.69 -59.86 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.073 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.733 HD11 ' HB3' ' A' ' 57' ' ' SER . 58.8 mt -53.02 -41.96 65.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.942 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -58.96 -26.69 64.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.96 -41.76 10.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.886 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.506 ' CD1' HG22 ' A' ' 74' ' ' ILE . 80.8 mt -64.62 -43.9 96.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.129 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -60.29 -39.25 86.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.832 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.6 m -79.91 -26.57 40.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.557 ' HB3' HG22 ' A' ' 53' ' ' THR . 0.5 OUTLIER -68.11 -56.0 10.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.929 179.917 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.945 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.1 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.804 0.335 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -62.42 -35.96 80.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.61 -49.33 13.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.557 ' CZ3' HG11 ' A' ' 52' ' ' VAL . 11.8 t90 -52.37 -57.03 11.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.621 HD12 ' HA ' ' A' ' 38' ' ' ARG . 60.2 mt -55.79 -36.52 67.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.957 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.0 t -69.38 -18.13 63.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.92 -8.09 54.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.102 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.507 HD11 HD23 ' A' ' 29' ' ' LEU . 10.3 pt -122.19 11.23 5.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.9 mttt 67.14 12.71 9.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 88.0 mmm -105.32 23.27 13.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.9 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.464 HG22 ' HE ' ' A' ' 38' ' ' ARG . 0.5 OUTLIER -58.51 -21.7 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -55.42 -25.49 36.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -100.95 27.79 5.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.621 ' HA ' HD12 ' A' ' 29' ' ' LEU . 7.7 ptp180 -73.05 -27.35 61.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.666 ' O ' HG22 ' A' ' 43' ' ' THR . 0.6 OUTLIER -88.86 -27.66 20.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.627 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -61.21 -40.83 95.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.803 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.567 ' HD2' HD11 ' A' ' 29' ' ' LEU . 62.1 m-85 -78.78 -43.53 25.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 34.6 mt -53.08 -60.42 3.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.666 HG22 ' O ' ' A' ' 39' ' ' ASP . 9.8 t -56.64 -35.31 68.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.9 -20.08 65.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.091 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.04 -16.9 22.61 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.518 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -77.32 89.36 3.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.924 0.392 . . . . 0.0 110.868 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 63.8 p -99.46 -24.91 14.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.154 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.7 m -115.17 133.42 56.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.616 HD12 ' CE ' ' A' ' 81' ' ' MET . 4.3 mm? -53.05 -28.85 26.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.929 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.12 -29.88 23.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 75.4 mt -91.09 -25.64 19.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.557 HG11 ' CZ3' ' A' ' 28' ' ' TRP . 96.0 t -75.68 -24.04 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.151 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.695 HG22 ' HB3' ' A' ' 81' ' ' MET . 51.7 p -69.19 -22.41 63.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -100.7 20.8 14.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.552 ' HE3' HG13 ' A' ' 52' ' ' VAL . 8.2 mtm -100.05 177.55 5.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.463 HG23 ' H ' ' A' ' 58' ' ' GLU . 14.0 t -149.86 175.22 11.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.106 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.711 ' HA ' HD21 ' A' ' 75' ' ' LEU . 4.1 t -51.91 -38.73 57.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.463 ' H ' HG23 ' A' ' 56' ' ' THR . 37.7 mt-10 -60.49 -32.91 71.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.873 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -70.86 -29.28 65.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.5 mt -68.63 -40.07 80.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.474 HD23 HG22 ' A' ' 66' ' ' THR . 0.2 OUTLIER -75.17 -19.14 60.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.924 179.907 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -75.52 -38.21 59.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.873 HD11 HD12 ' A' ' 65' ' ' ILE . 37.9 pt -81.42 -26.19 10.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.571 ' O ' HG23 ' A' ' 66' ' ' THR . . . 144.84 -37.22 1.36 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.413 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.873 HD12 HD11 ' A' ' 63' ' ' ILE . 63.5 mt -51.65 103.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.903 0.383 . . . . 0.0 111.136 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.571 HG23 ' O ' ' A' ' 64' ' ' GLY . 72.8 p -124.69 27.55 6.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.138 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.33 105.47 16.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.93 -34.62 60.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -74.96 -19.61 79.85 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.463 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 36.5 m170 -92.75 -48.37 6.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.805 0.336 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -51.97 -34.29 41.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -52.64 -33.24 45.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -81.26 -52.74 7.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.44 HD13 HD13 ' A' ' 65' ' ' ILE . 51.5 mt -54.84 -58.98 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.711 HD21 ' HA ' ' A' ' 57' ' ' SER . 22.0 mt -53.07 -42.86 66.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -59.16 -26.08 64.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.25 -41.21 12.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 61.6 mt -65.96 -39.48 84.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.129 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -64.96 -32.41 74.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.9 t -86.87 -26.48 23.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.695 ' HB3' HG22 ' A' ' 53' ' ' THR . 0.6 OUTLIER -70.39 -42.88 71.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.441 HG21 ' O ' ' A' ' 46' ' ' PHE . 78.2 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.825 0.345 . . . . 0.0 111.098 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.554 ' OD1' HD11 ' A' ' 42' ' ' LEU . 5.8 m-20 -52.17 -38.09 56.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.29 -50.46 14.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.579 ' CB ' HD21 ' A' ' 49' ' ' LEU . 13.4 t90 -53.49 -55.99 20.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.608 HD12 ' HA ' ' A' ' 38' ' ' ARG . 61.0 mt -55.72 -36.59 67.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.3 t -70.22 -17.69 63.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.06 -7.05 54.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.101 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.506 HD11 HD23 ' A' ' 29' ' ' LEU . 11.4 pt -123.14 11.51 5.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.106 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt 67.03 12.85 9.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 87.8 mmm -105.15 22.63 15.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.87 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.42 HG22 ' HE ' ' A' ' 38' ' ' ARG . 0.5 OUTLIER -57.99 -22.11 18.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.169 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -55.6 -25.43 38.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -100.54 27.44 5.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.942 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.608 ' HA ' HD12 ' A' ' 29' ' ' LEU . 7.9 ptp180 -72.58 -25.99 61.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.601 ' O ' HG22 ' A' ' 43' ' ' THR . 2.3 m-20 -88.8 -28.28 20.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.678 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -62.53 -43.56 98.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.787 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.583 ' HD2' HD11 ' A' ' 29' ' ' LEU . 56.0 m-85 -77.03 -42.91 36.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.554 HD11 ' OD1' ' A' ' 26' ' ' ASP . 25.7 mt -55.21 -54.57 41.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.601 HG22 ' O ' ' A' ' 39' ' ' ASP . 14.6 t -67.31 -30.77 70.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.28 -20.26 65.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.085 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.54 -16.73 23.91 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.494 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.441 ' O ' HG21 ' A' ' 25' ' ' VAL . 26.9 m-85 -83.71 88.91 7.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.942 0.401 . . . . 0.0 110.906 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 48.6 p -99.63 -25.32 14.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.133 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 m -107.18 136.5 46.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.579 HD21 ' CB ' ' A' ' 28' ' ' TRP . 13.4 mt -59.41 -31.52 69.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -54.05 -27.87 35.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 85.6 mt -89.65 -26.23 20.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.504 HG13 ' HE3' ' A' ' 55' ' ' MET . 93.7 t -73.98 -24.66 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.124 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.581 HG22 ' HB3' ' A' ' 81' ' ' MET . 66.9 p -66.67 -23.67 66.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -99.54 22.26 11.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.504 ' HE3' HG13 ' A' ' 52' ' ' VAL . 11.6 mtm -105.83 165.24 11.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.679 HG23 ' H ' ' A' ' 58' ' ' GLU . 14.3 t -136.87 174.56 10.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.17 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.691 ' HB3' HD11 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -52.08 -30.13 24.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.818 -179.819 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.679 ' H ' HG23 ' A' ' 56' ' ' THR . 29.6 mt-10 -66.28 -39.3 89.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.42 -29.31 70.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.906 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.41 HD12 ' HG2' ' A' ' 71' ' ' GLN . 9.5 mt -68.22 -38.3 81.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.482 HD23 HG22 ' A' ' 66' ' ' THR . 0.1 OUTLIER -75.12 -19.15 60.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.887 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -75.58 -38.25 59.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.872 HD11 HD12 ' A' ' 65' ' ' ILE . 37.9 pt -81.35 -26.13 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.167 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.59 ' O ' HG23 ' A' ' 66' ' ' THR . . . 144.65 -37.03 1.39 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.531 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.872 HD12 HD11 ' A' ' 63' ' ' ILE . 63.9 mt -51.77 103.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.908 0.385 . . . . 0.0 111.121 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.59 HG23 ' O ' ' A' ' 64' ' ' GLY . 67.5 p -124.1 25.37 7.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.72 106.36 18.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.45 -37.92 63.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.078 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -72.4 -20.56 79.41 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.1 m170 -90.67 -42.55 10.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.726 0.298 . . . . 0.0 110.849 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.41 ' HG2' HD12 ' A' ' 60' ' ' LEU . 65.4 mt-30 -57.45 -33.45 67.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.67 -30.32 55.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.892 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.0 tttt -82.89 -47.51 11.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.474 HG23 ' HH2' ' A' ' 28' ' ' TRP . 69.0 mt -58.61 -59.24 3.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.131 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.691 HD11 ' HB3' ' A' ' 57' ' ' SER . 47.7 mt -53.4 -44.83 69.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 -55.66 -26.17 43.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.41 -51.91 5.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.826 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 62.0 mt -51.8 -36.01 18.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -70.38 -36.12 73.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.0 m -77.73 -26.93 50.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.581 ' HB3' HG22 ' A' ' 53' ' ' THR . 3.5 mtm -70.92 -54.84 9.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.83 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.876 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.435 HG11 ' CB ' ' A' ' 41' ' ' PHE . 67.5 t . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.85 0.357 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.36 -34.36 70.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -75.49 -46.67 31.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.625 ' CZ3' HG11 ' A' ' 52' ' ' VAL . 10.4 t90 -57.95 -56.26 24.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.949 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.59 HD11 ' HD2' ' A' ' 41' ' ' PHE . 97.4 mt -55.68 -36.09 66.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.7 t -68.75 -18.71 64.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.27 -7.42 56.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.111 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.562 HD11 HD23 ' A' ' 29' ' ' LEU . 10.4 pt -122.89 10.82 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.173 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.5 mtmt 67.24 12.59 9.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 88.3 mmm -105.29 23.63 13.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.426 HG22 ' HE ' ' A' ' 38' ' ' ARG . 0.5 OUTLIER -59.42 -20.3 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -55.54 -25.34 37.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -100.43 27.54 5.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.426 ' HE ' HG22 ' A' ' 35' ' ' VAL . 6.0 ptp180 -72.27 -25.35 61.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.612 ' O ' HG22 ' A' ' 43' ' ' THR . 2.1 m-20 -87.93 -29.47 20.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.652 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.1 OUTLIER -62.3 -44.23 97.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.752 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.59 ' HD2' HD11 ' A' ' 29' ' ' LEU . 48.2 m-85 -73.29 -44.32 59.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.826 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.0 mt -55.85 -63.0 1.32 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.612 HG22 ' O ' ' A' ' 39' ' ' ASP . 14.6 t -57.1 -30.9 64.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.169 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.15 -19.97 64.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.12 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 111.7 -17.19 25.67 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.519 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.435 ' O ' HG21 ' A' ' 25' ' ' VAL . 27.4 m-85 -82.48 89.16 6.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.95 0.405 . . . . 0.0 110.874 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 68.0 p -96.81 -25.12 15.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.0 m -109.32 140.77 42.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.493 ' O ' HG23 ' A' ' 53' ' ' THR . 9.6 mt -61.68 -30.74 70.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -55.61 -26.12 42.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.7 mt -90.42 -26.32 19.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.625 HG11 ' CZ3' ' A' ' 28' ' ' TRP . 94.1 t -78.01 -26.63 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.54 HG22 ' HB3' ' A' ' 81' ' ' MET . 69.7 p -62.6 -24.8 67.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -101.69 25.73 8.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 35.3 mmt -103.91 169.42 8.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.5 t -140.04 174.03 10.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.159 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.9 t -52.06 -39.75 60.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.808 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -58.63 -36.64 74.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.852 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -66.96 -28.46 68.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.3 mt -69.3 -38.88 78.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.592 HD23 HG22 ' A' ' 66' ' ' THR . 0.2 OUTLIER -75.14 -19.16 60.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.866 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.55 -38.28 59.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.865 HD11 HD12 ' A' ' 65' ' ' ILE . 37.9 pt -81.27 -26.24 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.162 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.442 ' O ' HG23 ' A' ' 66' ' ' THR . . . 144.82 -37.14 1.37 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.865 HD12 HD11 ' A' ' 63' ' ' ILE . 63.2 mt -51.64 103.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.879 0.371 . . . . 0.0 111.128 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.592 HG22 HD23 ' A' ' 61' ' ' LEU . 44.2 p -126.09 40.21 3.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.153 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.567 HD22 ' CE1' ' A' ' 70' ' ' HIS . 0.2 OUTLIER -115.65 106.61 14.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.95 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.31 -31.97 55.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -77.57 -19.64 75.72 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.441 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.567 ' CE1' HD22 ' A' ' 67' ' ' LEU . 39.8 m170 -93.32 -45.95 7.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.731 0.3 . . . . 0.0 110.836 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -55.07 -33.7 62.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.13 -29.55 63.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.1 tttp -83.12 -48.78 10.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.482 HG22 HD11 ' A' ' 78' ' ' ILE . 72.8 mt -55.75 -61.43 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.107 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.4 mt -52.05 -43.56 63.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.96 -28.37 36.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.87 -45.03 9.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.482 HD11 HG22 ' A' ' 74' ' ' ILE . 75.5 mt -54.25 -48.85 66.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.144 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -56.4 -37.51 70.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.7 m -77.92 -26.76 49.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.54 ' HB3' HG22 ' A' ' 53' ' ' THR . 1.8 mtm -71.09 -55.07 9.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 90.7 t . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.845 0.355 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.44 ' OD2' HD11 ' A' ' 42' ' ' LEU . 3.0 m-20 -52.15 -38.44 57.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.87 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.22 -50.86 13.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.577 ' CZ3' HG11 ' A' ' 52' ' ' VAL . 13.1 t90 -52.9 -55.98 19.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.943 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.614 HD12 ' HA ' ' A' ' 38' ' ' ARG . 60.5 mt -55.72 -36.59 67.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.926 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.8 t -69.88 -18.19 63.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.32 -7.67 54.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.114 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.502 HD11 HD23 ' A' ' 29' ' ' LEU . 10.8 pt -122.56 11.42 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.182 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 67.06 12.81 9.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 87.0 mmm -105.12 22.67 14.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -57.99 -22.29 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.09 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -55.49 -25.56 37.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -100.18 27.5 5.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.961 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.614 ' HA ' HD12 ' A' ' 29' ' ' LEU . 3.9 ptp85 -71.56 -26.05 62.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.848 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.628 ' O ' HG22 ' A' ' 43' ' ' THR . 1.1 m-20 -91.3 -27.04 18.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.839 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.641 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -62.8 -42.82 99.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.712 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.602 ' HD2' HD11 ' A' ' 29' ' ' LEU . 59.1 m-85 -78.07 -41.76 34.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.444 HD23 HG22 ' A' ' 47' ' ' THR . 30.5 mt -55.8 -59.86 4.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.628 HG22 ' O ' ' A' ' 39' ' ' ASP . 14.6 t -62.3 -30.71 71.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.9 -20.35 65.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.066 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.38 -16.84 21.83 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.537 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -84.42 88.85 7.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.909 0.385 . . . . 0.0 110.891 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.444 HG22 HD23 ' A' ' 42' ' ' LEU . 81.3 p -99.31 -25.78 14.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.6 m -105.68 133.94 49.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.563 HD21 ' CB ' ' A' ' 28' ' ' TRP . 33.4 mt -57.71 -32.22 67.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -54.46 -27.42 37.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 81.2 mt -88.3 -26.04 22.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.577 HG11 ' CZ3' ' A' ' 28' ' ' TRP . 94.5 t -75.01 -24.39 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.687 HG22 ' HB3' ' A' ' 81' ' ' MET . 50.1 p -66.59 -23.71 66.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -99.73 22.22 11.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.52 ' HE3' HG13 ' A' ' 52' ' ' VAL . 14.1 mtm -105.82 164.77 11.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.681 HG23 ' H ' ' A' ' 58' ' ' GLU . 14.3 t -135.93 174.66 10.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.645 ' CA ' HD21 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -52.03 -30.19 24.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.82 -179.884 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.681 ' H ' HG23 ' A' ' 56' ' ' THR . 39.3 mt-10 -66.28 -38.16 87.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -65.66 -28.63 69.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.846 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.4 mt -68.77 -38.08 79.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.468 HD23 HG22 ' A' ' 66' ' ' THR . 0.2 OUTLIER -75.2 -19.11 59.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.953 179.876 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -75.58 -38.31 59.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.882 HD11 HD12 ' A' ' 65' ' ' ILE . 37.9 pt -81.3 -26.21 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.117 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.616 ' O ' HG23 ' A' ' 66' ' ' THR . . . 144.84 -37.15 1.37 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.882 HD12 HD11 ' A' ' 63' ' ' ILE . 63.8 mt -51.74 103.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.941 0.401 . . . . 0.0 111.106 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.616 HG23 ' O ' ' A' ' 64' ' ' GLY . 81.8 p -125.32 25.28 7.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.49 107.94 20.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.45 -38.03 63.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -72.78 -19.77 79.47 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.514 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -89.83 -48.32 7.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.757 0.313 . . . . 0.0 110.838 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -52.41 -34.99 50.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.28 -34.38 46.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.8 tttp -81.76 -47.27 13.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.41 ' CD1' HD13 ' A' ' 65' ' ' ILE . 73.1 mt -56.49 -59.94 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.645 HD21 ' CA ' ' A' ' 57' ' ' SER . 47.4 mt -54.07 -42.29 69.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -57.64 -26.01 61.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.77 -47.26 7.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 62.3 mt -58.17 -36.82 59.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.102 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -68.32 -38.1 81.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.851 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.7 m -77.79 -26.52 49.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.687 ' HB3' HG22 ' A' ' 53' ' ' THR . 4.9 mtm -68.97 -56.93 6.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.556 HG21 ' O ' ' A' ' 46' ' ' PHE . 94.3 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.877 0.37 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.65 -34.62 78.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.859 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.8 -46.81 28.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.565 ' CZ3' HG11 ' A' ' 52' ' ' VAL . 10.0 t90 -56.2 -56.17 24.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.623 HD23 HD11 ' A' ' 32' ' ' ILE . 92.4 mt -56.14 -34.65 66.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.7 t -70.0 -17.95 63.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.11 -7.91 54.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.107 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.623 HD11 HD23 ' A' ' 29' ' ' LEU . 10.7 pt -121.93 10.93 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.8 mttt 67.35 12.55 8.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 86.1 mmm -105.32 23.5 13.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.401 HG22 ' HE ' ' A' ' 38' ' ' ARG . 0.5 OUTLIER -58.56 -21.29 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.126 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -55.47 -25.53 37.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -100.13 27.49 5.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.936 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.544 ' O ' HD12 ' A' ' 42' ' ' LEU . 6.8 ptp180 -71.92 -25.53 61.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.857 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.606 ' O ' HG22 ' A' ' 43' ' ' THR . 1.3 m-20 -89.67 -28.66 19.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.716 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.8 OUTLIER -62.21 -43.82 97.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.75 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.592 ' HD2' HD11 ' A' ' 29' ' ' LEU . 51.6 m-85 -75.58 -42.14 52.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.544 HD12 ' O ' ' A' ' 38' ' ' ARG . 12.0 mt -57.29 -61.64 2.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.606 HG22 ' O ' ' A' ' 39' ' ' ASP . 14.6 t -57.58 -30.96 65.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.513 ' HB2' HG22 ' A' ' 63' ' ' ILE . . . -67.12 -20.6 65.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 108.1 16.73 11.86 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.448 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.556 ' O ' HG21 ' A' ' 25' ' ' VAL . 29.0 m-85 -113.2 74.32 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.933 0.397 . . . . 0.0 110.898 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 44.9 p -78.67 -26.82 45.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.14 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.5 m -114.56 149.98 35.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.466 HD12 ' CE ' ' A' ' 81' ' ' MET . 4.3 mm? -66.53 -26.93 67.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.928 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -55.64 -26.04 42.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.6 mt -91.88 -26.08 18.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.951 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.565 HG11 ' CZ3' ' A' ' 28' ' ' TRP . 92.3 t -80.9 -27.19 11.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.143 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.581 HG22 ' HB3' ' A' ' 81' ' ' MET . 33.4 p -63.21 -24.85 68.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -101.78 25.95 8.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 31.6 mmt -103.11 -176.12 3.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.567 HG23 ' H ' ' A' ' 58' ' ' GLU . 14.5 t -151.78 173.98 14.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.191 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.679 ' HA ' HD21 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -52.06 -33.78 40.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.858 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.567 ' H ' HG23 ' A' ' 56' ' ' THR . 9.9 mt-10 -61.56 -42.69 99.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -58.53 -35.61 72.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.9 mt -61.66 -41.38 97.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.688 HD23 HG22 ' A' ' 66' ' ' THR . 0.2 OUTLIER -74.62 -19.26 60.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.859 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -75.44 -39.83 58.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.871 HD11 HD12 ' A' ' 65' ' ' ILE . 37.1 pt -79.55 -28.41 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.1 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.527 ' O ' HG23 ' A' ' 66' ' ' THR . . . 147.24 -37.01 1.17 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.459 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.871 HD12 HD11 ' A' ' 63' ' ' ILE . 60.2 mt -51.61 103.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.929 0.395 . . . . 0.0 111.175 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.688 HG22 HD23 ' A' ' 61' ' ' LEU . 61.6 p -122.85 29.95 6.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.145 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.84 107.96 19.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.72 -42.15 67.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.11 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.24 -19.65 72.46 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.46 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 38.5 m170 -90.7 -45.1 9.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.761 0.315 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -57.66 -34.63 69.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.5 ttmm -57.35 -26.84 61.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -87.25 -39.75 15.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.556 HG22 ' CD1' ' A' ' 78' ' ' ILE . 79.6 mt -66.73 -58.61 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.091 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.679 HD21 ' HA ' ' A' ' 57' ' ' SER . 15.3 mt -53.02 -40.89 64.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.94 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -56.79 -25.99 56.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.933 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.16 -40.92 9.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.556 ' CD1' HG22 ' A' ' 74' ' ' ILE . 81.0 mt -63.06 -44.23 99.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.157 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -61.96 -40.06 94.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.8 m -76.85 -26.61 54.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.581 ' HB3' HG22 ' A' ' 53' ' ' THR . 0.8 OUTLIER -67.83 -57.44 6.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.88 179.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 80.9 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.846 0.355 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.41 -34.41 64.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -75.74 -46.65 29.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.618 ' CZ3' HG11 ' A' ' 52' ' ' VAL . 11.0 t90 -57.84 -56.43 22.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.614 HD23 HD11 ' A' ' 32' ' ' ILE . 93.1 mt -56.09 -35.01 66.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.6 t -70.14 -17.89 63.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.45 -7.76 54.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.614 HD11 HD23 ' A' ' 29' ' ' LEU . 11.3 pt -122.15 11.24 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt 67.12 12.69 9.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 88.0 mmm -105.29 23.41 13.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.69 -21.21 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.128 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -55.58 -25.38 37.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.946 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -100.4 27.32 5.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.963 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.442 ' HA ' HD12 ' A' ' 29' ' ' LEU . 7.6 ptp180 -72.13 -25.61 61.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.631 ' O ' HG22 ' A' ' 43' ' ' THR . 0.4 OUTLIER -89.0 -28.95 19.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.556 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -61.8 -44.03 97.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 -179.755 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.592 ' HD2' HD11 ' A' ' 29' ' ' LEU . 49.8 m-85 -74.26 -42.53 59.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 40.1 mt -56.92 -62.04 2.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.631 HG22 ' O ' ' A' ' 39' ' ' ASP . 15.2 t -58.3 -31.61 67.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.174 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.87 -20.04 65.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.71 -17.51 22.99 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.501 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -82.8 88.27 6.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.989 0.423 . . . . 0.0 110.918 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 81.8 p -96.0 -25.16 16.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.174 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.9 m -110.83 140.19 45.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.651 ' O ' HG23 ' A' ' 53' ' ' THR . 7.7 mt -56.65 -32.51 65.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -55.34 -26.28 39.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.4 mt -87.31 -25.85 23.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.618 HG11 ' CZ3' ' A' ' 28' ' ' TRP . 92.3 t -84.65 -25.14 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.651 HG23 ' O ' ' A' ' 49' ' ' LEU . 73.4 p -62.95 -24.53 67.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -105.51 29.54 6.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 35.0 mmt -104.9 179.06 4.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.6 t -146.5 173.85 11.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.122 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.448 ' CA ' HD21 ' A' ' 75' ' ' LEU . 0.5 OUTLIER -52.14 -45.96 65.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.889 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -55.11 -42.56 73.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -59.27 -26.67 65.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.9 mt -71.09 -36.77 72.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.86 -18.93 59.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 17.7 mtm180 -76.25 -37.79 57.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.904 HD11 HD12 ' A' ' 65' ' ' ILE . 37.6 pt -81.1 -26.81 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.105 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.442 ' O ' HG23 ' A' ' 66' ' ' THR . . . 145.41 -36.9 1.34 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.904 HD12 HD11 ' A' ' 63' ' ' ILE . 60.6 mt -52.75 102.48 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.904 0.383 . . . . 0.0 111.12 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.442 HG23 ' O ' ' A' ' 64' ' ' GLY . 46.9 p -123.23 34.38 5.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.99 104.71 12.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.52 -37.17 62.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.058 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -72.58 -19.97 79.32 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.46 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -91.66 -46.22 8.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.692 0.282 . . . . 0.0 110.824 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -54.12 -33.35 57.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.51 -28.54 60.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.826 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.0 tttt -84.6 -41.78 16.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.907 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.594 HG22 HD11 ' A' ' 78' ' ' ILE . 53.4 mt -63.28 -61.33 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.448 HD21 ' CA ' ' A' ' 57' ' ' SER . 9.3 mt -52.64 -43.37 65.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -55.31 -26.31 39.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.3 t -91.96 -39.36 11.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.594 HD11 HG22 ' A' ' 74' ' ' ILE . 62.4 mt -60.25 -47.0 93.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -57.24 -36.88 71.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.2 m -80.53 -27.32 37.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.405 ' HB3' HG22 ' A' ' 53' ' ' THR . 1.1 mtm -68.37 -56.0 10.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 -179.948 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 44.4 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.796 0.332 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.414 ' OD2' HD11 ' A' ' 42' ' ' LEU . 2.7 m-20 -51.98 -31.89 31.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.9 -52.06 7.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.646 ' CZ3' HG11 ' A' ' 52' ' ' VAL . 12.9 t90 -53.0 -55.21 25.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.578 HD11 ' HD2' ' A' ' 41' ' ' PHE . 79.5 mt -55.57 -37.16 67.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.9 t -69.59 -18.48 63.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.825 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.27 -6.09 57.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.059 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.505 HD11 HD23 ' A' ' 29' ' ' LEU . 11.4 pt -124.23 11.07 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.134 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 67.41 12.49 8.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 85.6 mmm -105.03 22.81 14.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -58.04 -21.67 17.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.123 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -55.48 -25.44 36.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -99.79 27.34 5.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.542 ' HA ' HD12 ' A' ' 29' ' ' LEU . 3.6 ptp85 -71.49 -26.19 62.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.621 ' O ' HG22 ' A' ' 43' ' ' THR . 0.6 OUTLIER -91.0 -27.09 18.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.8 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -62.96 -42.89 99.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.795 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.578 ' HD2' HD11 ' A' ' 29' ' ' LEU . 55.5 m-85 -77.61 -43.09 32.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.414 HD11 ' OD2' ' A' ' 26' ' ' ASP . 22.5 mt -54.48 -62.3 1.74 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.621 HG22 ' O ' ' A' ' 39' ' ' ASP . 14.6 t -58.93 -30.76 68.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.149 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.34 -20.2 65.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.078 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.6 -17.21 21.03 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.494 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -81.16 89.11 5.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.948 0.404 . . . . 0.0 110.893 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.4 p -98.73 -25.36 14.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.107 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 66.3 m -107.76 136.06 48.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.611 HD21 ' CB ' ' A' ' 28' ' ' TRP . 29.5 mt -58.24 -32.46 68.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -54.93 -26.84 38.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 85.1 mt -86.91 -30.49 21.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.646 HG11 ' CZ3' ' A' ' 28' ' ' TRP . 93.8 t -73.55 -27.42 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.175 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.626 HG22 ' HB3' ' A' ' 81' ' ' MET . 51.0 p -62.75 -24.98 67.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -101.07 25.65 7.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.947 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 38.1 mmt -103.72 170.93 7.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.436 HG23 ' H ' ' A' ' 58' ' ' GLU . 14.7 t -142.31 173.47 11.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.177 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.567 ' CA ' HD21 ' A' ' 75' ' ' LEU . 3.4 t -52.11 -37.32 53.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.436 ' H ' HG23 ' A' ' 56' ' ' THR . 18.3 mt-10 -61.12 -33.42 73.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -70.65 -26.77 63.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.8 mt -72.87 -37.39 67.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.754 HD23 HG22 ' A' ' 66' ' ' THR . 0.3 OUTLIER -75.37 -19.53 59.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.892 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -75.17 -38.1 61.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.898 HD11 HD12 ' A' ' 65' ' ' ILE . 37.8 pt -81.48 -26.14 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.75 -37.39 1.36 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.481 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.898 HD12 HD11 ' A' ' 63' ' ' ILE . 62.0 mt -51.85 102.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.942 0.401 . . . . 0.0 111.182 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.754 HG22 HD23 ' A' ' 61' ' ' LEU . 18.1 p -117.27 -18.4 9.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.166 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -55.27 108.4 0.41 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.89 -26.47 35.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.079 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -82.12 -21.43 60.92 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.499 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -89.03 -34.06 16.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.699 0.285 . . . . 0.0 110.854 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.409 ' O ' HD12 ' A' ' 75' ' ' LEU . 51.5 mt-30 -69.04 -32.36 71.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.932 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.55 -28.74 70.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -82.27 -46.83 13.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.493 HG22 ' CD1' ' A' ' 78' ' ' ILE . 55.0 mt -57.82 -58.7 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.567 HD21 ' CA ' ' A' ' 57' ' ' SER . 6.0 mt -52.64 -43.33 65.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.944 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -57.24 -27.13 61.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.51 -45.72 8.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.493 ' CD1' HG22 ' A' ' 74' ' ' ILE . 77.1 mt -59.77 -45.12 95.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -60.52 -26.75 67.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.859 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.3 m -90.12 -26.61 20.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.626 ' HB3' HG22 ' A' ' 53' ' ' THR . 0.3 OUTLIER -68.78 -53.05 23.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.903 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.931 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.433 HG21 ' O ' ' A' ' 46' ' ' PHE . 96.7 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.813 0.339 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -60.44 -35.4 75.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -76.64 -51.31 11.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.471 ' CE3' HD11 ' A' ' 49' ' ' LEU . 13.0 t90 -52.63 -56.0 18.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.951 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.61 HD12 ' HA ' ' A' ' 38' ' ' ARG . 59.9 mt -55.59 -36.57 67.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.8 t -69.87 -18.53 63.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.97 -7.11 56.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.114 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.496 HD11 HD23 ' A' ' 29' ' ' LEU . 10.5 pt -123.21 11.15 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.3 mttt 67.42 12.49 8.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 58.1 mmm -104.71 22.53 14.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -57.74 -22.53 18.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -55.44 -25.48 36.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -100.1 27.54 5.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.61 ' HA ' HD12 ' A' ' 29' ' ' LEU . 3.8 ptp85 -71.94 -26.03 62.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.884 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.665 ' O ' HG22 ' A' ' 43' ' ' THR . 0.9 OUTLIER -90.12 -29.04 18.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.602 ' HB3' HD12 ' A' ' 63' ' ' ILE . 1.3 t -59.97 -43.2 95.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.493 ' HD2' HD11 ' A' ' 29' ' ' LEU . 60.1 m-85 -78.39 -43.6 27.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.431 HD12 ' O ' ' A' ' 38' ' ' ARG . 16.6 mt -52.18 -62.67 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.665 HG22 ' O ' ' A' ' 39' ' ' ASP . 12.3 t -58.34 -32.93 68.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.473 ' HB2' HG22 ' A' ' 63' ' ' ILE . . . -64.58 -21.28 66.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.091 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 108.12 16.63 12.04 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.446 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.433 ' O ' HG21 ' A' ' 25' ' ' VAL . 28.8 m-85 -113.14 79.71 1.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.934 0.397 . . . . 0.0 110.887 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 43.7 p -86.94 -25.23 24.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.138 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.8 m -116.53 136.64 52.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.54 HD12 ' CE ' ' A' ' 81' ' ' MET . 4.3 mm? -55.57 -26.58 44.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -54.28 -27.63 36.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.3 mt -91.88 -25.96 18.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.1 t -79.18 -27.93 13.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.483 HG22 ' HB3' ' A' ' 81' ' ' MET . 37.6 p -62.45 -24.87 67.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -101.62 26.05 7.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 36.3 mmt -104.35 -176.05 2.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.657 HG23 ' H ' ' A' ' 58' ' ' GLU . 14.6 t -151.93 173.92 14.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.142 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.701 ' HB3' HD11 ' A' ' 75' ' ' LEU . 0.2 OUTLIER -52.08 -30.07 24.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.847 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.657 ' H ' HG23 ' A' ' 56' ' ' THR . 20.6 mt-10 -64.13 -44.42 92.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -58.02 -37.15 73.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.838 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.8 mt -61.67 -42.11 98.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.619 HD23 HG22 ' A' ' 66' ' ' THR . 0.6 OUTLIER -74.05 -19.21 60.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 179.879 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.0 mtm180 -74.81 -42.36 58.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.897 HD11 HD12 ' A' ' 65' ' ' ILE . 33.3 pt -77.0 -30.14 17.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 148.84 -36.29 1.06 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.511 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.897 HD12 HD11 ' A' ' 63' ' ' ILE . 58.8 mt -51.72 102.98 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 111.162 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.619 HG22 HD23 ' A' ' 61' ' ' LEU . 26.0 p -124.7 13.5 8.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -81.5 106.98 13.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.95 -33.41 56.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.154 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -78.5 -19.35 74.02 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.473 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.8 m170 -91.03 -46.38 8.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.76 0.314 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -52.7 -39.3 61.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.01 -26.61 38.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -86.72 -43.22 12.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.496 HG22 ' CD1' ' A' ' 78' ' ' ILE . 76.3 mt -61.96 -60.21 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.701 HD11 ' HB3' ' A' ' 57' ' ' SER . 36.3 mt -53.38 -40.49 65.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -59.35 -26.08 64.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.54 -42.62 9.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.496 ' CD1' HG22 ' A' ' 74' ' ' ILE . 78.0 mt -63.43 -43.24 98.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.134 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -57.59 -40.24 78.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.5 t -81.3 -26.65 35.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.54 ' CE ' HD12 ' A' ' 49' ' ' LEU . 0.4 OUTLIER -67.49 -51.14 54.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 -179.917 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 98.6 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.891 0.377 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.441 ' OD1' HD11 ' A' ' 42' ' ' LEU . 9.2 m-20 -62.65 -36.24 82.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.85 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.39 -49.88 13.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.469 ' CE3' HD11 ' A' ' 49' ' ' LEU . 12.5 t90 -52.87 -56.46 15.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.614 HD12 ' HA ' ' A' ' 38' ' ' ARG . 61.0 mt -55.73 -36.37 67.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.6 t -70.05 -18.33 63.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.47 -5.45 57.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.089 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.506 HD11 HD23 ' A' ' 29' ' ' LEU . 10.5 pt -124.86 10.9 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.165 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 67.6 12.45 8.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 57.9 mmm -104.81 22.52 15.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.466 HG22 ' HE ' ' A' ' 38' ' ' ARG . 0.6 OUTLIER -58.17 -21.78 18.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.159 179.919 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -55.5 -25.45 37.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -100.94 27.43 6.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.614 ' HA ' HD12 ' A' ' 29' ' ' LEU . 7.5 ptp180 -72.88 -27.8 62.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.622 ' O ' HG22 ' A' ' 43' ' ' THR . 1.4 m-20 -87.7 -27.33 22.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.775 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -62.92 -42.92 99.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.807 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.521 ' HD2' HD11 ' A' ' 29' ' ' LEU . 56.7 m-85 -78.28 -40.99 35.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.441 HD11 ' OD1' ' A' ' 26' ' ' ASP . 18.1 mt -56.54 -61.09 2.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.622 HG22 ' O ' ' A' ' 39' ' ' ASP . 14.6 t -60.09 -30.91 69.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.58 -20.2 65.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.105 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 114.0 -17.71 19.61 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.486 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -80.94 85.86 6.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.949 0.404 . . . . 0.0 110.916 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.2 p -92.56 -32.33 14.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.183 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.7 m -109.04 135.32 50.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.548 HD12 ' CE ' ' A' ' 81' ' ' MET . 4.3 mm? -53.17 -28.68 27.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -52.74 -29.26 26.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 74.5 mt -89.74 -26.03 20.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.403 HG11 ' CZ3' ' A' ' 28' ' ' TRP . 94.5 t -75.31 -35.7 34.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.566 HG22 ' HB3' ' A' ' 81' ' ' MET . 45.9 p -56.53 -24.32 45.87 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -99.62 25.2 7.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 27.6 mmt -108.51 171.51 7.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.627 HG23 ' H ' ' A' ' 58' ' ' GLU . 14.5 t -140.38 174.25 10.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.187 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.734 ' HB3' HD11 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -52.09 -31.84 32.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 -179.848 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.627 ' H ' HG23 ' A' ' 56' ' ' THR . 37.7 mt-10 -66.01 -36.11 82.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.514 ' OD2' HG22 ' A' ' 56' ' ' THR . 12.0 m-20 -66.17 -28.35 68.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.5 mt -72.06 -38.02 69.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 1.019 HD23 HG22 ' A' ' 66' ' ' THR . 0.3 OUTLIER -75.57 -19.06 59.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.919 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.7 mtp85 -75.57 -39.27 58.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.887 HD11 HD12 ' A' ' 65' ' ' ILE . 35.5 pt -79.82 -27.18 12.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.491 ' O ' HG23 ' A' ' 66' ' ' THR . . . 145.57 -36.66 1.34 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.47 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.887 HD12 HD11 ' A' ' 63' ' ' ILE . 60.5 mt -52.63 102.49 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.902 0.382 . . . . 0.0 111.159 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 1.019 HG22 HD23 ' A' ' 61' ' ' LEU . 65.0 p -124.4 14.21 8.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -81.49 107.08 13.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.966 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.13 -32.4 55.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -79.22 -19.61 71.66 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.514 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 38.2 m170 -91.29 -46.42 8.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.744 0.307 . . . . 0.0 110.831 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -52.02 -40.33 60.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.97 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -53.17 -28.66 27.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -83.22 -53.04 6.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.894 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.509 HG22 ' CD1' ' A' ' 78' ' ' ILE . 77.1 mt -52.51 -60.07 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.088 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.734 HD11 ' HB3' ' A' ' 57' ' ' SER . 40.2 mt -53.34 -41.64 65.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.12 -25.79 64.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.17 -41.53 10.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.828 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.509 ' CD1' HG22 ' A' ' 74' ' ' ILE . 81.2 mt -65.03 -43.81 95.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.121 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -57.4 -38.98 75.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 30.6 t -81.77 -30.53 32.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.566 ' HB3' HG22 ' A' ' 53' ' ' THR . 0.4 OUTLIER -65.12 -49.17 70.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.0 ptt180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.913 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.451 HG21 ' O ' ' A' ' 46' ' ' PHE . 77.8 t . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.831 0.348 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.427 ' OD1' HD11 ' A' ' 42' ' ' LEU . 15.0 m-20 -52.22 -37.65 55.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.818 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.37 -50.61 13.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.826 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.581 ' CB ' HD21 ' A' ' 49' ' ' LEU . 13.4 t90 -53.52 -55.91 21.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.6 HD12 ' HA ' ' A' ' 38' ' ' ARG . 62.2 mt -55.64 -36.46 67.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.937 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.1 t -70.24 -18.29 63.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.25 -7.52 55.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.082 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.505 HD11 HD23 ' A' ' 29' ' ' LEU . 11.3 pt -122.65 11.15 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.166 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 67.36 12.58 8.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 66.6 mmm -104.65 22.57 14.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.409 HG22 ' HE ' ' A' ' 38' ' ' ARG . 0.5 OUTLIER -58.01 -22.07 18.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.131 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -55.56 -25.42 37.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -100.54 27.29 5.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.6 ' HA ' HD12 ' A' ' 29' ' ' LEU . 8.0 ptp180 -72.37 -25.97 61.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.956 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.613 ' O ' HG22 ' A' ' 43' ' ' THR . 0.5 OUTLIER -88.96 -27.99 20.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.793 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -63.29 -43.31 98.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.747 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.589 ' HD2' HD11 ' A' ' 29' ' ' LEU . 55.6 m-85 -77.59 -40.89 40.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.891 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.455 HD23 HG22 ' A' ' 47' ' ' THR . 22.7 mt -57.07 -56.59 19.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.919 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.613 HG22 ' O ' ' A' ' 39' ' ' ASP . 14.6 t -65.46 -30.77 71.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.34 -20.25 65.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.076 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.19 -16.74 24.76 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.499 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.451 ' O ' HG21 ' A' ' 25' ' ' VAL . 27.1 m-85 -82.5 89.15 6.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.946 0.403 . . . . 0.0 110.883 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.455 HG22 HD23 ' A' ' 42' ' ' LEU . 59.0 p -102.01 -25.23 13.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.8 m -105.96 132.59 51.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.581 HD21 ' CB ' ' A' ' 28' ' ' TRP . 9.4 mt -56.83 -32.73 66.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.921 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -54.08 -27.84 35.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 71.1 mt -88.92 -26.02 21.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.957 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.504 HG13 ' HE3' ' A' ' 55' ' ' MET . 93.9 t -74.88 -24.58 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.107 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.628 HG22 ' HB3' ' A' ' 81' ' ' MET . 45.5 p -66.4 -23.91 66.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.185 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -99.52 22.34 10.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.504 ' HE3' HG13 ' A' ' 52' ' ' VAL . 13.4 mtm -106.14 162.38 13.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.677 HG23 ' H ' ' A' ' 58' ' ' GLU . 14.4 t -133.15 174.52 10.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.14 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.664 ' HB3' HD11 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -52.04 -30.08 23.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.84 -179.822 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.677 ' H ' HG23 ' A' ' 56' ' ' THR . 21.1 mt-10 -66.24 -37.13 84.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.0 -33.99 77.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.1 mt -67.73 -36.48 80.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.969 HD23 HG22 ' A' ' 66' ' ' THR . 0.3 OUTLIER -76.47 -19.0 58.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 179.908 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -76.21 -37.6 57.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.889 HD11 HD12 ' A' ' 65' ' ' ILE . 37.1 pt -81.02 -26.29 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.131 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.668 ' O ' HG23 ' A' ' 66' ' ' THR . . . 144.87 -36.84 1.39 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.485 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.889 HD12 HD11 ' A' ' 63' ' ' ILE . 58.4 mt -53.9 101.67 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.952 0.406 . . . . 0.0 111.164 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.969 HG22 HD23 ' A' ' 61' ' ' LEU . 61.3 p -123.16 15.22 9.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.155 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -81.51 108.17 14.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.939 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.92 -34.28 59.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.11 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -77.12 -23.82 67.82 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.51 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.2 m170 -85.76 -47.39 9.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.765 0.317 . . . . 0.0 110.853 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -52.52 -38.37 59.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -28.27 31.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -84.96 -52.78 5.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.463 HG23 ' HH2' ' A' ' 28' ' ' TRP . 76.9 mt -52.26 -59.42 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.148 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.664 HD11 ' HB3' ' A' ' 57' ' ' SER . 52.9 mt -52.43 -44.9 65.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -55.7 -26.19 43.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.78 -48.05 7.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 62.3 mt -57.35 -36.32 52.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.144 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -69.55 -37.77 77.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.0 t -76.68 -29.04 56.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.628 ' HB3' HG22 ' A' ' 53' ' ' THR . 4.7 mtm -69.65 -54.63 12.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.903 -179.942 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.0 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.828 0.346 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -62.65 -36.13 81.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.837 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -77.5 -49.7 14.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.443 ' CE3' HD11 ' A' ' 49' ' ' LEU . 12.6 t90 -53.0 -56.46 15.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.622 HD12 ' HA ' ' A' ' 38' ' ' ARG . 60.5 mt -55.73 -36.2 66.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.965 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.6 t -70.14 -18.14 63.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.31 -6.78 56.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.516 HD11 HD23 ' A' ' 29' ' ' LEU . 10.2 pt -123.55 11.08 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.084 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.9 mtmt 67.49 12.46 8.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 61.6 mmm -104.76 22.63 14.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.887 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.452 HG22 ' HE ' ' A' ' 38' ' ' ARG . 0.5 OUTLIER -58.24 -21.62 17.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.4 pt20 -55.47 -25.7 38.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -100.97 27.54 5.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.956 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.622 ' HA ' HD12 ' A' ' 29' ' ' LEU . 7.9 ptp180 -72.63 -27.93 62.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.893 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.628 ' O ' HG22 ' A' ' 43' ' ' THR . 3.6 m-20 -87.57 -27.42 22.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.755 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -62.72 -43.04 99.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.834 -179.764 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.535 ' HD2' HD11 ' A' ' 29' ' ' LEU . 57.2 m-85 -78.15 -41.24 35.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.1 mt -56.24 -61.33 2.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.628 HG22 ' O ' ' A' ' 39' ' ' ASP . 14.6 t -60.11 -30.9 69.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.26 -20.3 65.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.118 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.93 -17.36 20.1 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.454 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -81.3 87.01 6.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.89 0.376 . . . . 0.0 110.913 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 51.3 p -93.41 -32.74 14.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.165 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.5 m -108.04 134.65 50.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.828 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.531 HD12 ' CE ' ' A' ' 81' ' ' MET . 4.3 mm? -52.78 -29.49 27.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -52.99 -28.93 26.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 93.4 mt -89.57 -25.88 21.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.411 HG11 ' CZ3' ' A' ' 28' ' ' TRP . 95.4 t -76.42 -33.73 23.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.112 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.563 HG22 ' HB3' ' A' ' 81' ' ' MET . 46.5 p -57.7 -23.76 53.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -99.88 24.93 7.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.942 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 37.7 mmt -106.67 173.67 6.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.607 HG23 ' H ' ' A' ' 58' ' ' GLU . 14.4 t -143.98 174.37 10.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.109 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.696 ' HB3' HD11 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -51.98 -32.86 35.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.863 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.607 ' H ' HG23 ' A' ' 56' ' ' THR . 16.8 mt-10 -64.71 -40.01 94.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.871 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -63.32 -33.46 75.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 15.2 mt -66.88 -37.94 85.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.833 HD23 HG22 ' A' ' 66' ' ' THR . 0.4 OUTLIER -75.92 -18.93 59.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 179.898 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.8 -39.16 57.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.897 HD11 HD12 ' A' ' 65' ' ' ILE . 35.1 pt -79.59 -27.39 12.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.75 -36.32 1.34 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.482 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.897 HD12 HD11 ' A' ' 63' ' ' ILE . 59.1 mt -53.49 102.03 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.89 0.376 . . . . 0.0 111.159 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.833 HG22 HD23 ' A' ' 61' ' ' LEU . 40.3 p -123.64 14.0 9.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.123 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -81.4 107.11 13.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.14 -33.42 57.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -78.43 -19.23 74.44 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.489 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 38.6 m170 -91.42 -46.03 8.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.753 0.311 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -52.97 -38.93 62.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -54.4 -27.34 36.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -85.31 -51.01 6.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.535 HG22 ' CD1' ' A' ' 78' ' ' ILE . 80.3 mt -53.96 -61.37 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.127 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.696 HD11 ' HB3' ' A' ' 57' ' ' SER . 29.3 mt -53.67 -40.61 66.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -58.24 -26.09 62.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.3 t -93.17 -39.42 11.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.905 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.535 ' CD1' HG22 ' A' ' 74' ' ' ILE . 78.0 mt -65.63 -44.29 93.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.16 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -58.03 -35.66 71.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 14.9 t -85.56 -26.44 26.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.828 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.563 ' HB3' HG22 ' A' ' 53' ' ' THR . 0.2 OUTLIER -70.48 -44.41 67.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.961 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.511 HG21 ' O ' ' A' ' 46' ' ' PHE . 98.0 t . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.878 0.37 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.555 ' OD2' HD11 ' A' ' 42' ' ' LEU . 2.0 m-20 -61.88 -34.56 76.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.45 -49.57 12.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.45 ' CE3' HD11 ' A' ' 49' ' ' LEU . 12.6 t90 -52.94 -56.5 15.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.616 HD12 ' HA ' ' A' ' 38' ' ' ARG . 58.1 mt -55.76 -36.57 67.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.4 t -69.66 -18.18 63.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.19 -7.33 55.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.096 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.5 HD11 HD23 ' A' ' 29' ' ' LEU . 10.0 pt -122.98 11.08 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.13 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt 67.45 12.49 8.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 60.7 mmm -104.85 22.79 14.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.434 HG22 ' HE ' ' A' ' 38' ' ' ARG . 0.5 OUTLIER -58.13 -21.98 18.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.164 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -55.6 -25.36 38.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -100.78 27.56 5.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.616 ' HA ' HD12 ' A' ' 29' ' ' LEU . 8.0 ptp180 -72.85 -27.08 61.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.605 ' O ' HG22 ' A' ' 43' ' ' THR . 1.2 m-20 -88.28 -27.63 21.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.641 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.9 OUTLIER -62.88 -43.17 99.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.793 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.494 ' HD2' HD11 ' A' ' 29' ' ' LEU . 57.4 m-85 -79.15 -44.18 22.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.834 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.555 HD11 ' OD2' ' A' ' 26' ' ' ASP . 15.3 mt -52.1 -63.14 1.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.605 HG22 ' O ' ' A' ' 39' ' ' ASP . 14.6 t -56.69 -30.86 63.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.24 -19.96 64.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.26 -17.43 24.12 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.505 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.511 ' O ' HG21 ' A' ' 25' ' ' VAL . 27.2 m-85 -77.42 74.21 3.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.882 0.372 . . . . 0.0 110.899 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.4 p -81.69 -34.51 30.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.104 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 38.0 m -106.68 140.32 39.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.713 ' O ' HG23 ' A' ' 53' ' ' THR . 4.3 mm? -59.65 -27.86 66.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -55.35 -26.29 40.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 74.5 mt -90.41 -26.04 20.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.3 t -80.89 -30.77 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.713 HG23 ' O ' ' A' ' 49' ' ' LEU . 67.4 p -57.86 -24.2 56.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -105.33 30.29 5.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 34.5 mmt -110.14 -176.13 2.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.664 HG23 ' H ' ' A' ' 58' ' ' GLU . 14.5 t -152.06 174.08 14.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.11 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.557 ' HB2' HD11 ' A' ' 75' ' ' LEU . 13.4 t -52.02 -30.15 24.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.664 ' H ' HG23 ' A' ' 56' ' ' THR . 42.6 mt-10 -61.38 -36.22 79.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -70.76 -32.56 69.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.0 mt -66.08 -40.98 91.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.908 HD23 HG22 ' A' ' 66' ' ' THR . 0.3 OUTLIER -74.33 -19.22 60.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.891 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -74.89 -42.09 58.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.905 HD11 HD12 ' A' ' 65' ' ' ILE . 33.2 pt -77.04 -30.21 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 148.82 -36.35 1.06 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.506 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.905 HD12 HD11 ' A' ' 63' ' ' ILE . 59.0 mt -51.74 103.05 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.924 0.392 . . . . 0.0 111.159 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.908 HG22 HD23 ' A' ' 61' ' ' LEU . 23.9 p -124.73 13.52 8.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -81.47 106.72 13.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.12 -32.5 55.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.082 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -79.32 -19.33 72.06 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.542 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.4 m170 -91.38 -45.65 8.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.775 0.322 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -53.11 -39.96 63.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.95 -27.84 33.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -84.61 -46.27 11.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.465 HG22 ' CD1' ' A' ' 78' ' ' ILE . 79.7 mt -57.85 -61.23 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.127 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.557 HD11 ' HB2' ' A' ' 57' ' ' SER . 5.1 mt -52.49 -45.13 66.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 29.6 m-20 -56.08 -26.17 48.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.8 t -91.14 -44.39 9.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.465 ' CD1' HG22 ' A' ' 74' ' ' ILE . 80.7 mt -61.46 -44.97 99.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.082 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -57.13 -37.75 72.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.8 t -82.17 -26.44 33.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.591 ' CE ' HD12 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -67.52 -50.4 58.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.912 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.461 HG21 ' O ' ' A' ' 46' ' ' PHE . 39.0 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.798 0.332 . . . . 0.0 111.114 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -52.88 -32.42 44.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.73 -51.74 8.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.862 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.487 ' CZ3' HG11 ' A' ' 52' ' ' VAL . 12.9 t90 -53.21 -55.26 25.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.573 HD11 ' HD2' ' A' ' 41' ' ' PHE . 79.5 mt -55.57 -36.89 67.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.8 t -69.82 -18.49 63.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.869 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.26 -5.59 57.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.074 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.512 HD11 HD23 ' A' ' 29' ' ' LEU . 11.3 pt -124.87 10.98 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.143 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt 67.57 12.38 8.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 59.0 mmm -104.65 22.6 14.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -58.37 -21.51 18.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -55.56 -25.47 38.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.958 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -99.99 27.25 5.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.532 ' HA ' HD12 ' A' ' 29' ' ' LEU . 6.5 ptp180 -71.85 -25.66 62.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.569 ' O ' HG22 ' A' ' 43' ' ' THR . 3.0 m-20 -90.22 -27.85 19.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.795 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -62.81 -43.22 99.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.737 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.573 ' HD2' HD11 ' A' ' 29' ' ' LEU . 53.9 m-85 -76.65 -43.92 36.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.9 mt -52.95 -61.53 2.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.569 HG22 ' O ' ' A' ' 39' ' ' ASP . 14.6 t -60.6 -30.73 70.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.03 -20.3 65.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.98 -17.21 20.09 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.512 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.461 ' O ' HG21 ' A' ' 25' ' ' VAL . 28.0 m-85 -81.04 89.07 5.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.859 0.361 . . . . 0.0 110.859 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 67.4 p -96.91 -25.62 15.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 69.6 m -111.92 146.91 36.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.47 HD21 ' CB ' ' A' ' 28' ' ' TRP . 25.5 mt -67.3 -30.77 70.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.93 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -54.18 -28.24 39.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.7 mt -88.82 -26.4 21.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.487 HG11 ' CZ3' ' A' ' 28' ' ' TRP . 89.9 t -80.68 -25.13 11.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.113 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.731 HG22 ' HB3' ' A' ' 81' ' ' MET . 21.7 p -65.05 -24.96 67.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.16 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -103.04 26.22 8.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 34.4 mmt -100.4 -176.43 3.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.655 HG23 ' H ' ' A' ' 58' ' ' GLU . 14.6 t -148.84 173.84 12.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.154 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.759 ' HB3' HD11 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -52.11 -30.08 24.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 -179.859 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.655 ' H ' HG23 ' A' ' 56' ' ' THR . 40.4 mt-10 -63.36 -47.17 83.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -52.62 -33.24 45.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.5 mt -68.82 -43.33 75.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 1.049 HD23 HG22 ' A' ' 66' ' ' THR . 0.4 OUTLIER -74.63 -19.23 60.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.911 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -74.72 -40.61 61.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.854 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.881 HD11 HD12 ' A' ' 65' ' ' ILE . 34.5 pt -79.1 -27.4 13.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.567 ' O ' HG23 ' A' ' 66' ' ' THR . . . 145.72 -36.56 1.33 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.457 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.881 HD12 HD11 ' A' ' 63' ' ' ILE . 63.6 mt -51.64 103.24 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.926 0.393 . . . . 0.0 111.115 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 1.049 HG22 HD23 ' A' ' 61' ' ' LEU . 77.3 p -124.21 15.96 9.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -81.69 114.92 20.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.98 -31.52 69.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.103 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -80.94 -20.19 65.87 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.495 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -90.51 -44.01 9.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.773 0.32 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -55.26 -39.86 70.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.46 -26.08 40.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -85.36 -51.89 6.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.439 HG23 ' HH2' ' A' ' 28' ' ' TRP . 77.3 mt -52.94 -61.41 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.759 HD11 ' HB3' ' A' ' 57' ' ' SER . 60.4 mt -52.13 -46.79 65.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.949 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -54.76 -27.05 38.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.99 -51.52 5.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 64.3 mt -52.41 -43.88 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.145 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -59.05 -36.23 74.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.6 m -81.23 -26.53 35.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.731 ' HB3' HG22 ' A' ' 53' ' ' THR . 0.9 OUTLIER -69.46 -55.68 9.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.1 ptt180 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.951 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.528 HG21 ' O ' ' A' ' 46' ' ' PHE . 46.5 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.818 0.342 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -53.71 -30.87 45.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.97 -51.25 8.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.822 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.61 ' CZ3' HG11 ' A' ' 52' ' ' VAL . 13.4 t90 -53.93 -55.02 30.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.595 HD11 ' HD2' ' A' ' 41' ' ' PHE . 76.6 mt -55.77 -36.63 67.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.0 t -70.13 -17.69 63.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.82 -7.75 53.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.54 HD11 HD23 ' A' ' 29' ' ' LEU . 10.8 pt -122.47 11.5 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.106 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 67.1 12.75 9.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.948 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 85.4 mmm -105.0 22.76 14.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.942 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.15 -21.95 18.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -55.48 -25.57 37.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -100.03 27.5 5.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.977 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.545 ' HA ' HD12 ' A' ' 29' ' ' LEU . 3.6 ptp85 -71.85 -25.94 62.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.854 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.613 ' O ' HG22 ' A' ' 43' ' ' THR . 1.1 m-20 -88.46 -29.01 20.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.853 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.795 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -62.43 -43.93 97.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.771 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.595 ' HD2' HD11 ' A' ' 29' ' ' LEU . 54.2 m-85 -76.91 -40.4 47.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.9 mt -57.92 -57.9 10.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.613 HG22 ' O ' ' A' ' 39' ' ' ASP . 14.6 t -63.36 -30.74 71.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.157 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.88 -20.3 65.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.73 -16.94 20.91 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.522 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.528 ' O ' HG21 ' A' ' 25' ' ' VAL . 27.7 m-85 -81.31 87.1 6.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.914 0.388 . . . . 0.0 110.885 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 46.4 p -95.28 -25.3 16.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.144 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.6 m -112.11 137.46 50.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 22.0 mt -58.27 -28.71 65.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -54.22 -27.62 35.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.6 mt -90.72 -26.09 19.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.61 HG11 ' CZ3' ' A' ' 28' ' ' TRP . 96.1 t -75.47 -29.34 20.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.092 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.671 HG22 ' HB3' ' A' ' 81' ' ' MET . 31.2 p -61.77 -24.81 67.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -101.12 25.62 7.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 38.7 mmt -104.81 166.73 10.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.821 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.6 t -136.36 173.84 11.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.767 ' HB3' HD11 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -52.19 -39.06 59.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.875 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -58.94 -41.15 86.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -59.72 -34.37 72.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.824 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.0 mt -67.6 -34.89 77.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.951 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.884 HD23 HG22 ' A' ' 66' ' ' THR . 0.4 OUTLIER -77.09 -18.57 57.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.9 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.7 mtm180 -77.32 -37.24 52.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.949 HD11 HD12 ' A' ' 65' ' ' ILE . 36.7 pt -80.58 -27.14 11.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.618 ' O ' HG23 ' A' ' 66' ' ' THR . . . 145.8 -36.43 1.33 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.538 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.949 HD12 HD11 ' A' ' 63' ' ' ILE . 53.5 mt -55.12 100.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 0.0 111.138 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.884 HG22 HD23 ' A' ' 61' ' ' LEU . 68.3 p -121.55 13.98 10.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.172 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -81.21 126.57 31.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.24 -32.15 69.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.082 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -79.44 -20.19 69.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.445 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 47.0 m170 -89.98 -45.74 8.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.777 0.322 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -54.05 -38.32 65.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -56.27 -25.86 49.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -85.59 -52.25 5.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.5 HG22 ' CD1' ' A' ' 78' ' ' ILE . 79.5 mt -53.77 -60.96 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.142 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.767 HD11 ' HB3' ' A' ' 57' ' ' SER . 47.4 mt -53.2 -41.66 65.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -58.73 -26.18 63.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.62 -48.72 6.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.5 ' CD1' HG22 ' A' ' 74' ' ' ILE . 78.3 mt -55.1 -46.46 77.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -56.32 -36.15 68.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.818 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.6 m -81.86 -26.44 34.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.838 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.671 ' HB3' HG22 ' A' ' 53' ' ' THR . 0.7 OUTLIER -69.79 -55.47 9.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.888 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.906 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 t -119.16 73.41 0.94 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.9 0.381 . . . . 0.0 110.878 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 m -145.77 156.12 43.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.66 57.95 1.57 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.01 127.5 55.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.893 0.378 . . . . 0.0 110.846 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 76.7 p -123.29 122.46 38.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.82 45.45 1.38 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.515 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.95 139.28 1.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.792 0.33 . . . . 0.0 110.824 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -77.72 160.56 74.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.589 0.709 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 95.02 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.637 2.225 . . . . 0.0 112.395 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -70.14 174.34 5.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 mp -99.0 172.11 7.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.37 111.55 18.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -83.74 -29.53 27.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.3 t -88.87 122.12 31.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.435 HG23 ' HD2' ' A' ' 17' ' ' PRO . 63.0 mt -104.85 133.08 20.34 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.646 0.736 . . . . 0.0 111.088 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.435 ' HD2' HG23 ' A' ' 16' ' ' ILE . 53.9 Cg_endo -69.71 178.99 3.99 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.738 2.292 . . . . 0.0 112.342 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -95.33 101.69 13.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.878 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -69.51 -26.53 64.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 47.7 p -93.22 42.48 1.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.16 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.25 27.48 3.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -115.71 -170.82 1.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.7 t -174.52 -40.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.07 159.04 40.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.432 HG21 ' O ' ' A' ' 46' ' ' PHE . 22.8 t -59.87 -47.77 90.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.15 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.402 ' OD1' HD11 ' A' ' 42' ' ' LEU . 8.9 m-20 -54.3 -38.23 65.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.32 -50.97 12.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.512 ' CB ' HD21 ' A' ' 49' ' ' LEU . 13.1 t90 -53.39 -55.61 23.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.569 HD12 ' HA ' ' A' ' 38' ' ' ARG . 73.1 mt -55.68 -36.82 67.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.8 t -69.8 -18.3 63.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.34 -6.79 56.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.136 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.496 HD11 HD23 ' A' ' 29' ' ' LEU . 11.1 pt -123.43 11.25 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt 67.19 12.66 9.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 87.0 mmm -105.05 22.79 14.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.412 HG22 ' HE ' ' A' ' 38' ' ' ARG . 0.5 OUTLIER -58.25 -21.64 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.158 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -55.52 -25.46 37.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.926 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -100.24 27.47 5.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.569 ' HA ' HD12 ' A' ' 29' ' ' LEU . 6.6 ptp180 -72.23 -25.75 61.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.86 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.579 ' O ' HG22 ' A' ' 43' ' ' THR . 1.9 m-20 -90.43 -27.53 19.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.744 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -62.82 -43.15 99.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.815 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.549 ' HD2' HD11 ' A' ' 29' ' ' LEU . 55.1 m-85 -77.37 -41.89 38.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.895 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.421 HD23 HG22 ' A' ' 47' ' ' THR . 19.2 mt -55.43 -60.5 3.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.579 HG22 ' O ' ' A' ' 39' ' ' ASP . 13.9 t -61.76 -30.44 70.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.88 -20.39 65.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.08 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.8 -17.04 20.67 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.516 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.432 ' O ' HG21 ' A' ' 25' ' ' VAL . 27.6 m-85 -83.14 88.33 6.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.37 . . . . 0.0 110.907 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.421 HG22 HD23 ' A' ' 42' ' ' LEU . 61.7 p -95.55 -25.02 16.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.176 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.2 m -114.03 137.88 51.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.512 HD21 ' CB ' ' A' ' 28' ' ' TRP . 20.2 mt -58.08 -28.75 64.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.927 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -54.29 -28.22 40.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 85.3 mt -89.41 -28.8 19.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.939 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 91.2 t -76.83 -25.92 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.171 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.642 HG22 ' HB3' ' A' ' 81' ' ' MET . 28.9 p -63.94 -25.2 68.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.114 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -102.7 26.32 8.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 35.7 mmt -103.0 -176.67 3.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.59 HG23 ' H ' ' A' ' 58' ' ' GLU . 14.6 t -150.0 173.77 13.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.165 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.653 ' HB3' HD11 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -52.08 -32.71 36.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.83 -179.859 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.59 ' H ' HG23 ' A' ' 56' ' ' THR . 36.5 mt-10 -61.11 -45.53 94.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -56.06 -33.03 64.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.4 mt -64.65 -42.35 95.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.572 HD23 HG22 ' A' ' 66' ' ' THR . 0.2 OUTLIER -74.74 -18.94 60.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.6 mtp85 -75.6 -39.27 58.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.873 HD11 HD12 ' A' ' 65' ' ' ILE . 37.7 pt -80.3 -27.57 11.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.091 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.585 ' O ' HG23 ' A' ' 66' ' ' THR . . . 146.32 -37.03 1.25 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.473 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.873 HD12 HD11 ' A' ' 63' ' ' ILE . 61.4 mt -51.57 103.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.894 0.378 . . . . 0.0 111.12 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 64' ' ' GLY . 71.4 p -124.08 25.11 7.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.615 HD22 ' CE1' ' A' ' 70' ' ' HIS . 0.2 OUTLIER -99.76 107.92 20.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.913 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.5 -34.25 61.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.084 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -75.26 -19.6 79.52 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.546 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.615 ' CE1' HD22 ' A' ' 67' ' ' LEU . 36.4 m170 -93.2 -42.19 9.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.756 0.313 . . . . 0.0 110.858 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -61.21 -27.23 68.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -27.37 68.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.0 tttp -86.24 -47.4 9.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.44 HG23 ' HH2' ' A' ' 28' ' ' TRP . 73.1 mt -56.11 -61.03 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.653 HD11 ' HB3' ' A' ' 57' ' ' SER . 29.9 mt -52.87 -40.24 63.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.67 -28.63 67.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.1 t -88.51 -50.66 6.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.888 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 69.2 mt -51.87 -47.69 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.087 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.656 ' O ' HG23 ' A' ' 83' ' ' VAL . 1.5 t-160 -54.41 -45.3 72.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.825 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.63 -27.12 61.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.642 ' HB3' HG22 ' A' ' 53' ' ' THR . 1.3 mtm -68.18 -57.91 5.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.857 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.99 -37.1 52.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 79' ' ' HIS . 89.8 t -66.61 -50.04 69.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -71.37 -74.31 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.4 pt -82.05 172.02 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 58.16 94.69 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -77.93 92.2 4.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.8 p -121.68 73.24 32.27 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.666 0.746 . . . . 0.0 110.872 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -176.38 1.46 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.646 2.231 . . . . 0.0 112.388 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 47.2 m -61.21 143.45 55.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.131 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -112.95 -55.94 2.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -72.47 90.94 1.35 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.919 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -159.83 -174.21 4.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.25 178.56 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.817 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -70.82 168.06 50.19 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.54 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -22.61 31.72 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.662 2.241 . . . . 0.0 112.345 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 m -144.42 118.41 9.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.864 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.28 -52.07 0.4 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.828 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.485 -179.949 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.34 111.89 16.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.856 0.36 . . . . 0.0 110.852 -179.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 p -170.51 162.65 8.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.04 70.12 1.09 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t -53.76 153.49 4.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.839 0.352 . . . . 0.0 110.88 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.8 t -60.32 112.04 1.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.846 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.78 141.97 7.9 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.14 140.93 58.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.854 0.359 . . . . 0.0 110.815 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -127.64 71.52 77.67 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.593 0.711 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 175.38 8.21 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.682 2.255 . . . . 0.0 112.308 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 pp -66.28 156.43 34.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.951 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.9 mt -128.02 104.27 7.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -107.52 -44.12 4.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.14 151.31 22.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.6 p -140.88 65.77 1.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.43 HG23 ' HD2' ' A' ' 17' ' ' PRO . 66.2 mt -85.37 133.09 43.09 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.662 0.744 . . . . 0.0 111.122 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.43 ' HD2' HG23 ' A' ' 16' ' ' ILE . 53.5 Cg_endo -69.75 -175.91 1.31 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.678 2.252 . . . . 0.0 112.363 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -100.8 108.5 20.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -73.91 -31.79 63.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.548 HG22 HG23 ' A' ' 85' ' ' ILE . 21.1 p -92.5 44.43 1.16 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.167 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.76 26.4 1.4 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.083 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -111.11 137.48 48.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.2 t -124.47 -36.21 2.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.148 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.5 p -130.01 135.98 48.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.174 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 89.1 t -51.6 -33.6 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.129 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -58.67 -34.67 71.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.51 -48.22 14.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.412 ' CH2' HG23 ' A' ' 74' ' ' ILE . 10.7 t90 -53.6 -56.87 13.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.593 HD11 ' CD2' ' A' ' 41' ' ' PHE . 92.3 mt -55.92 -35.56 66.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.2 t -69.66 -18.24 63.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.823 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.9 -7.5 55.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.071 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.588 HD11 HD23 ' A' ' 29' ' ' LEU . 10.6 pt -122.59 10.9 5.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.111 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.6 mttt 67.36 12.56 8.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 86.5 mmm -105.27 23.49 13.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.478 HG22 ' HE ' ' A' ' 38' ' ' ARG . 0.5 OUTLIER -58.88 -20.85 17.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.139 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -55.51 -25.37 36.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -100.72 27.6 5.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.957 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.505 ' HA ' HD12 ' A' ' 29' ' ' LEU . 7.6 ptp180 -72.91 -25.97 61.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.672 ' O ' HG22 ' A' ' 43' ' ' THR . 2.1 m-20 -87.9 -30.41 20.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.65 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.7 OUTLIER -58.19 -45.44 87.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.777 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.593 ' CD2' HD11 ' A' ' 29' ' ' LEU . 66.3 m-85 -73.35 -45.42 55.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 25.5 mt -52.38 -64.04 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.672 HG22 ' O ' ' A' ' 39' ' ' ASP . 10.0 t -55.75 -33.81 64.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.451 ' CB ' HG22 ' A' ' 63' ' ' ILE . . . -67.45 -19.94 65.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.093 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.82 -17.22 22.94 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -81.48 86.15 6.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.934 0.397 . . . . 0.0 110.883 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 75.7 p -88.53 -34.42 17.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.151 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 44.4 m -105.3 161.54 14.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.706 ' O ' HG23 ' A' ' 53' ' ' THR . 4.3 mm? -75.56 -31.21 59.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -53.79 -28.1 33.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.3 mt -88.4 -25.91 22.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.2 t -80.65 -30.26 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.086 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.706 HG23 ' O ' ' A' ' 49' ' ' LEU . 50.7 p -60.21 -24.46 64.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.193 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -101.32 26.03 7.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 33.8 mmt -106.38 -175.75 2.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.558 HG23 ' H ' ' A' ' 58' ' ' GLU . 14.5 t -151.76 174.1 13.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.154 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.704 ' HB3' HD11 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -51.99 -34.35 42.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.839 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.558 ' H ' HG23 ' A' ' 56' ' ' THR . 45.1 mt-10 -60.22 -47.51 85.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.921 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -55.41 -34.99 64.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 15.2 mt -61.2 -40.5 94.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.03 -19.25 60.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -75.49 -39.29 58.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.874 HD11 HD12 ' A' ' 65' ' ' ILE . 37.5 pt -80.0 -28.06 12.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.67 ' O ' HG23 ' A' ' 66' ' ' THR . . . 146.87 -37.01 1.2 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.486 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.874 HD12 HD11 ' A' ' 63' ' ' ILE . 61.0 mt -51.77 103.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.915 0.388 . . . . 0.0 111.088 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.67 HG23 ' O ' ' A' ' 64' ' ' GLY . 63.8 p -125.87 38.47 4.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.133 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.602 HD22 ' CE1' ' A' ' 70' ' ' HIS . 0.2 OUTLIER -113.93 106.99 15.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.9 -34.34 59.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.119 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -74.41 -20.57 79.56 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.465 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.602 ' CE1' HD22 ' A' ' 67' ' ' LEU . 37.4 m170 -92.51 -49.85 5.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.773 0.321 . . . . 0.0 110.843 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -52.88 -30.53 34.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -33.13 69.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.0 tttp -83.05 -40.9 19.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.57 HG22 ' CD1' ' A' ' 78' ' ' ILE . 80.2 mt -61.87 -60.74 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.704 HD11 ' HB3' ' A' ' 57' ' ' SER . 33.0 mt -52.71 -42.63 65.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.935 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -55.61 -26.2 42.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.31 -43.58 8.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.57 ' CD1' HG22 ' A' ' 74' ' ' ILE . 77.2 mt -58.6 -40.67 79.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.143 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.648 ' O ' HG23 ' A' ' 83' ' ' VAL . 1.8 t-160 -64.94 -45.34 86.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 14.8 t -70.66 -26.67 63.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.849 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.561 ' CE ' HD12 ' A' ' 49' ' ' LEU . 1.2 mtm -68.38 -58.93 3.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -52.09 -47.4 65.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.839 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 79' ' ' HIS . 93.6 t -54.91 -26.28 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.136 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -94.83 -73.98 0.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.548 HG23 HG22 ' A' ' 20' ' ' THR . 38.8 pt -85.15 155.23 3.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -171.41 124.12 0.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -74.32 144.89 44.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.936 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.5 m 55.85 70.28 1.58 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.707 0.765 . . . . 0.0 110.851 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 170.55 16.24 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.683 2.256 . . . . 0.0 112.38 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 16.1 p -89.39 165.86 14.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.167 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -131.99 176.82 8.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.106 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.66 173.74 7.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -56.18 117.61 3.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.087 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 59.7 p -116.62 175.37 5.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.8 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -79.67 171.04 54.53 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 176.56 6.68 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.66 2.24 . . . . 0.0 112.34 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.62 95.11 2.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.99 158.32 21.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.838 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 179.978 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 m -153.68 37.25 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.864 0.364 . . . . 0.0 110.851 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -71.73 135.56 46.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.48 165.41 28.71 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.524 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 m -119.9 -178.23 3.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 0.0 110.916 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 p -63.52 -47.32 82.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.43 -108.07 2.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.455 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -129.3 170.14 13.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.796 0.331 . . . . 0.0 110.879 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.97 71.07 75.11 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.567 0.699 . . . . 0.0 110.877 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 90.71 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.725 2.284 . . . . 0.0 112.35 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -86.31 159.74 19.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.962 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -137.5 151.44 48.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -98.62 82.06 2.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.818 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.11 159.64 20.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.7 p -110.76 59.42 0.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.839 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.44 HG23 ' HD2' ' A' ' 17' ' ' PRO . 63.5 mt -110.51 133.07 21.24 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.614 0.721 . . . . 0.0 111.092 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.44 ' HD2' HG23 ' A' ' 16' ' ' ILE . 53.6 Cg_endo -69.79 -177.63 1.97 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.67 2.247 . . . . 0.0 112.348 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.44 ' OD2' ' HB2' ' A' ' 21' ' ' ALA . 6.3 p-10 -95.88 129.08 43.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -95.44 22.98 6.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.8 p -121.59 30.35 6.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.44 ' HB2' ' OD2' ' A' ' 18' ' ' ASP . . . -122.04 25.63 8.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.083 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -109.18 177.7 4.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.0 t -165.72 -41.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.146 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -132.3 157.36 44.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.495 HG21 ' O ' ' A' ' 46' ' ' PHE . 58.9 t -56.96 -50.43 76.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.069 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -52.56 -34.49 50.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -76.99 -50.65 12.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.605 ' CZ3' HG11 ' A' ' 52' ' ' VAL . 13.1 t90 -55.47 -56.8 15.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.579 HD12 ' HA ' ' A' ' 38' ' ' ARG . 71.3 mt -55.6 -37.14 67.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.913 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.9 t -69.7 -18.23 63.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.39 -6.43 56.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.123 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.485 HD11 HD23 ' A' ' 29' ' ' LEU . 11.2 pt -124.01 11.38 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.1 mtmt 67.11 12.66 9.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.962 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 87.5 mmm -105.14 22.84 14.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.823 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.17 -21.86 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.148 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 28.2 pt20 -55.46 -25.48 36.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -100.03 27.51 5.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.579 ' HA ' HD12 ' A' ' 29' ' ' LEU . 3.8 ptp85 -71.79 -26.2 62.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.655 ' O ' HG22 ' A' ' 43' ' ' THR . 1.0 OUTLIER -90.88 -27.48 18.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.62 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -61.7 -43.31 99.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.79 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.556 ' HD2' HD11 ' A' ' 29' ' ' LEU . 59.1 m-85 -77.23 -41.65 40.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 26.9 mt -54.99 -60.05 3.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.655 HG22 ' O ' ' A' ' 39' ' ' ASP . 11.7 t -60.46 -33.21 72.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.182 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.448 ' CB ' HG22 ' A' ' 63' ' ' ILE . . . -64.54 -21.28 66.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.081 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 107.44 16.46 13.13 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.452 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.495 ' O ' HG21 ' A' ' 25' ' ' VAL . 27.6 m-85 -113.66 87.42 2.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.993 0.425 . . . . 0.0 110.846 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.9 p -97.6 -25.24 15.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.101 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.9 m -107.99 138.57 44.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.858 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.9 mt -59.78 -31.03 69.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -52.96 -30.43 34.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.957 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.6 mt -87.38 -26.26 23.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.605 HG11 ' CZ3' ' A' ' 28' ' ' TRP . 99.6 t -78.29 -23.02 13.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.163 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.528 HG22 ' HB3' ' A' ' 81' ' ' MET . 34.1 p -67.0 -21.25 65.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -105.5 25.66 10.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 26.2 mtp -96.09 162.57 13.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.456 HG23 ' H ' ' A' ' 58' ' ' GLU . 14.7 t -136.54 173.47 11.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.069 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.487 ' HA ' HD21 ' A' ' 75' ' ' LEU . 0.7 OUTLIER -52.37 -36.59 54.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.895 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.456 ' H ' HG23 ' A' ' 56' ' ' THR . 27.5 mt-10 -68.04 -32.05 72.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -68.17 -26.09 65.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.1 mt -74.65 -37.78 62.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.556 HD23 HG22 ' A' ' 66' ' ' THR . 0.2 OUTLIER -75.06 -18.93 60.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -75.72 -38.06 58.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.831 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.859 HD11 HD12 ' A' ' 65' ' ' ILE . 37.9 pt -81.65 -25.66 9.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.465 ' O ' HG23 ' A' ' 66' ' ' THR . . . 144.16 -37.16 1.43 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.475 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.859 HD12 HD11 ' A' ' 63' ' ' ILE . 64.6 mt -51.66 103.2 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.926 0.394 . . . . 0.0 111.102 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.556 HG22 HD23 ' A' ' 61' ' ' LEU . 45.3 p -124.67 33.9 5.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.103 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.92 106.16 15.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.2 -33.75 63.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -74.85 -19.6 79.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.517 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 34.1 m170 -93.8 -48.7 6.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.803 0.335 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -52.43 -30.5 29.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.68 -35.14 68.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -81.17 -38.66 26.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.431 HD13 HD13 ' A' ' 65' ' ' ILE . 66.6 mt -64.5 -62.66 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.134 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.487 HD21 ' HA ' ' A' ' 57' ' ' SER . 9.9 mt -52.81 -40.75 63.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 -57.69 -27.94 63.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.9 t -89.79 -40.0 12.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.431 ' CD1' HG22 ' A' ' 74' ' ' ILE . 75.8 mt -61.2 -46.14 97.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.628 ' O ' HG23 ' A' ' 83' ' ' VAL . 1.9 t-160 -60.97 -35.47 76.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.7 m -79.95 -26.45 40.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.528 ' HB3' HG22 ' A' ' 53' ' ' THR . 1.4 mtm -70.66 -55.34 8.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.13 -38.8 58.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 79' ' ' HIS . 93.0 t -65.16 -50.71 72.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.092 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -69.1 -73.95 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 49.2 pt -84.18 154.09 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.115 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -172.42 118.61 0.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 59.8 26.9 16.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.927 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.9 m -57.79 160.6 7.82 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.729 0.776 . . . . 0.0 110.852 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 95.47 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.666 2.244 . . . . 0.0 112.342 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.87 162.81 35.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -171.15 159.73 6.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.105 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -122.68 166.5 14.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -168.29 86.21 0.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.6 t -71.81 178.73 3.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -171.98 73.64 0.1 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.467 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 85.22 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.673 2.249 . . . . 0.0 112.328 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 35.7 t -169.97 81.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.804 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.6 t -89.8 -34.81 16.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.495 -179.986 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.0 p -135.75 -42.78 0.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.884 0.373 . . . . 0.0 110.844 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 m -127.02 47.92 2.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.882 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.72 133.59 8.1 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.62 -28.87 57.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.864 0.364 . . . . 0.0 110.849 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 p -106.74 174.52 5.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.44 157.05 15.67 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.443 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.2 p -109.63 -45.85 3.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.782 0.325 . . . . 0.0 110.855 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.1 mp0 53.31 68.99 2.5 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.545 0.688 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -172.63 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.726 2.284 . . . . 0.0 112.34 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -112.67 -176.73 2.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.935 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 pp -149.7 123.96 9.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 60.95 -172.64 0.14 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.5 -172.7 3.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.22 170.39 9.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.434 HG23 ' HD2' ' A' ' 17' ' ' PRO . 67.0 mt -66.54 133.09 94.24 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.6 0.714 . . . . 0.0 111.165 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.434 ' HD2' HG23 ' A' ' 16' ' ' ILE . 53.3 Cg_endo -69.83 -178.57 2.43 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.678 2.252 . . . . 0.0 112.324 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.9 114.05 25.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.857 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -78.73 -29.73 45.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.628 HG22 HG23 ' A' ' 85' ' ' ILE . 20.9 p -92.33 44.63 1.17 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.9 25.94 1.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.137 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -112.24 137.39 50.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.5 t -124.48 -36.12 2.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.17 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 37.4 p -127.2 134.35 50.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.445 HG21 ' O ' ' A' ' 46' ' ' PHE . 96.5 t -51.66 -31.85 13.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.155 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -60.95 -35.35 76.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -76.65 -50.79 12.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.439 ' CE3' HD11 ' A' ' 49' ' ' LEU . 12.7 t90 -52.86 -56.08 18.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.922 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.604 HD12 ' HA ' ' A' ' 38' ' ' ARG . 64.8 mt -55.7 -36.59 67.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.8 t -69.87 -18.36 63.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.32 -6.16 56.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.08 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.5 HD11 HD23 ' A' ' 29' ' ' LEU . 10.9 pt -124.19 11.17 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.156 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.0 mttt 67.37 12.52 8.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 84.8 mmm -104.97 22.62 14.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -57.8 -22.13 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.101 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -55.44 -25.41 36.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -100.31 27.61 5.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.604 ' HA ' HD12 ' A' ' 29' ' ' LEU . 3.4 ptp85 -72.15 -26.51 62.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.634 ' O ' HG22 ' A' ' 43' ' ' THR . 0.5 OUTLIER -87.97 -30.5 19.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.596 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.7 OUTLIER -58.58 -45.42 89.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.83 -179.764 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.478 ' HD2' HD11 ' A' ' 29' ' ' LEU . 64.9 m-85 -77.39 -42.65 35.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.8 mt -54.37 -62.8 1.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.634 HG22 ' O ' ' A' ' 39' ' ' ASP . 14.7 t -57.46 -30.95 65.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.51 -19.95 64.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 111.61 -17.39 25.71 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.503 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.445 ' O ' HG21 ' A' ' 25' ' ' VAL . 25.6 m-85 -78.4 77.56 4.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.922 0.391 . . . . 0.0 110.912 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 58.1 p -84.71 -32.0 23.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 m -107.82 134.89 50.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.496 HD12 ' CE ' ' A' ' 81' ' ' MET . 4.3 mm? -52.75 -29.37 26.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.932 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -53.05 -28.92 26.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.9 mt -89.15 -26.1 21.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.419 HG11 ' CZ3' ' A' ' 28' ' ' TRP . 93.4 t -77.94 -30.29 16.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.611 HG22 ' HB3' ' A' ' 81' ' ' MET . 32.4 p -60.82 -24.36 65.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -101.21 25.7 7.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 39.0 mmt -105.47 -178.03 3.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.486 HG23 ' H ' ' A' ' 58' ' ' GLU . 14.5 t -152.26 174.49 13.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.127 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.702 ' N ' HD21 ' A' ' 75' ' ' LEU . 0.2 OUTLIER -52.09 -37.08 52.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.837 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.486 ' H ' HG23 ' A' ' 56' ' ' THR . 58.0 mt-10 -61.35 -42.13 98.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.886 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -61.64 -29.06 69.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.5 mt -67.61 -36.86 81.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.01 -18.95 59.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -76.48 -38.1 55.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.903 HD11 HD12 ' A' ' 65' ' ' ILE . 37.0 pt -80.44 -27.76 11.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.094 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.649 ' O ' HG23 ' A' ' 66' ' ' THR . . . 146.46 -36.8 1.25 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.464 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.903 HD12 HD11 ' A' ' 63' ' ' ILE . 59.3 mt -52.94 102.26 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.93 0.395 . . . . 0.0 111.124 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.649 HG23 ' O ' ' A' ' 64' ' ' GLY . 59.4 p -123.22 39.0 4.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.124 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.24 111.42 20.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.947 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.22 -30.39 69.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -79.68 -20.31 68.85 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.49 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 34.7 m170 -93.94 -37.98 11.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.723 0.297 . . . . 0.0 110.847 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -61.49 -32.57 72.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.05 -38.19 64.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -74.78 -45.85 40.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.534 HG22 ' CD1' ' A' ' 78' ' ' ILE . 75.6 mt -57.67 -62.33 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.702 HD21 ' N ' ' A' ' 57' ' ' SER . 12.1 mt -53.44 -39.82 64.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -58.45 -26.31 63.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.56 -40.73 10.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.858 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.534 ' CD1' HG22 ' A' ' 74' ' ' ILE . 79.2 mt -63.43 -45.08 98.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.643 ' O ' HG23 ' A' ' 83' ' ' VAL . 2.5 t-160 -56.9 -39.16 73.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.57 -26.45 34.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.611 ' HB3' HG22 ' A' ' 53' ' ' THR . 0.5 OUTLIER -68.92 -47.98 64.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.861 179.906 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.46 -40.78 95.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 79' ' ' HIS . 92.6 t -62.17 -25.3 37.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -94.67 -71.46 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.628 HG23 HG22 ' A' ' 20' ' ' THR . 31.3 pt -88.15 168.82 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.96 99.87 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -109.65 166.57 10.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.37 160.57 27.93 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.677 0.751 . . . . 0.0 110.889 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 116.32 4.5 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.72 2.28 . . . . 0.0 112.326 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.31 164.74 14.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.128 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -142.54 152.05 42.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 4.0 ttp 57.62 72.02 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -100.47 39.89 1.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.61 88.12 2.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.809 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 100.75 171.49 29.02 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.512 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -171.88 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.711 2.274 . . . . 0.0 112.328 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.06 172.46 12.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.4 t -137.03 154.23 50.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.5 -179.974 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.05 172.54 6.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.869 0.366 . . . . 0.0 110.857 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.4 p -74.11 -178.15 3.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.76 -146.27 18.04 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.45 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.6 t -149.11 -68.54 0.21 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.839 0.352 . . . . 0.0 110.874 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.84 -49.59 1.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.03 131.7 1.44 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.455 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.3 m 57.93 81.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.805 0.336 . . . . 0.0 110.866 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -129.93 71.92 82.06 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.521 0.677 . . . . 0.0 110.926 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 105.62 1.51 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.65 2.233 . . . . 0.0 112.354 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 40.3 mt -71.74 155.88 39.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -163.77 153.95 15.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.15 -74.09 0.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 58.32 74.49 0.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.5 m -134.99 84.6 2.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.439 HG23 ' HD2' ' A' ' 17' ' ' PRO . 67.5 mt -101.52 133.07 21.06 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.64 0.733 . . . . 0.0 111.144 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.439 ' HD2' HG23 ' A' ' 16' ' ' ILE . 53.7 Cg_endo -69.78 -171.87 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.663 2.242 . . . . 0.0 112.36 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -107.43 123.53 48.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.827 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -94.16 -26.04 16.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.742 HG22 HG23 ' A' ' 85' ' ' ILE . 23.2 p -92.1 44.5 1.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.089 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.73 24.99 1.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.072 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -104.84 -175.32 2.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.2 t -169.09 -38.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.1 p -130.61 135.9 48.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 98.9 t -51.63 -30.03 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.617 ' OD2' HD11 ' A' ' 42' ' ' LEU . 1.1 m-20 -62.84 -36.38 83.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.46 -49.29 13.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.454 ' CE3' HD11 ' A' ' 49' ' ' LEU . 11.8 t90 -52.72 -56.68 13.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.631 HD12 ' HA ' ' A' ' 38' ' ' ARG . 59.4 mt -55.79 -36.73 67.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.0 t -69.29 -17.89 63.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.14 -8.25 54.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.144 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.498 HD11 HD23 ' A' ' 29' ' ' LEU . 10.3 pt -121.98 11.22 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.203 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt 67.13 12.76 9.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.937 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 86.9 mmm -105.39 23.3 13.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.56 -21.34 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.134 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -55.46 -25.62 37.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -101.03 27.69 5.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.631 ' HA ' HD12 ' A' ' 29' ' ' LEU . 3.5 ptp85 -71.59 -26.04 62.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.624 ' O ' HG22 ' A' ' 43' ' ' THR . 1.1 m-20 -87.42 -32.39 19.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.588 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.2 OUTLIER -56.44 -46.73 80.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 -179.774 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.481 ' HD2' HD11 ' A' ' 29' ' ' LEU . 66.0 m-85 -75.23 -42.42 55.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.617 HD11 ' OD2' ' A' ' 26' ' ' ASP . 19.5 mt -55.74 -62.87 1.4 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.624 HG22 ' O ' ' A' ' 39' ' ' ASP . 14.8 t -57.74 -31.04 66.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.158 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.83 -20.04 65.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.107 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.88 -17.49 22.6 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.495 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -80.4 85.55 5.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.957 0.408 . . . . 0.0 110.887 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 44.8 p -92.67 -26.71 17.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.6 m -113.05 134.23 54.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.525 HD12 ' CE ' ' A' ' 81' ' ' MET . 4.3 mm? -53.31 -28.79 30.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.39 -29.76 25.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 81.1 mt -90.08 -25.93 20.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.955 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 92.6 t -77.11 -27.63 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.122 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.52 HG23 ' O ' ' A' ' 49' ' ' LEU . 70.4 p -63.17 -24.82 68.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -101.71 25.76 8.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 35.6 mmt -102.88 -176.18 3.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.5 t -153.2 174.26 14.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.147 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.636 ' HA ' HD21 ' A' ' 75' ' ' LEU . 0.4 OUTLIER -52.0 -42.45 62.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.883 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -57.16 -46.43 82.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -55.18 -28.55 53.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.6 mt -68.49 -37.47 80.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.464 ' HG ' HG22 ' A' ' 66' ' ' THR . 0.1 OUTLIER -75.54 -19.01 59.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.888 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.3 mtp85 -75.92 -38.82 57.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.888 HD11 HD12 ' A' ' 65' ' ' ILE . 36.9 pt -80.15 -27.56 12.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.527 ' O ' HG23 ' A' ' 66' ' ' THR . . . 146.12 -36.83 1.28 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.529 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.888 HD12 HD11 ' A' ' 63' ' ' ILE . 61.3 mt -52.22 102.78 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.914 0.387 . . . . 0.0 111.135 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.527 HG23 ' O ' ' A' ' 64' ' ' GLY . 73.8 p -124.21 38.53 4.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.175 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.13 104.96 11.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.25 -34.6 61.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.058 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -72.61 -20.77 79.72 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -94.17 -41.63 9.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.737 0.303 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -59.52 -29.71 68.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.961 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.28 -32.06 66.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.9 tttt -83.49 -45.16 13.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.447 HG22 ' CD1' ' A' ' 78' ' ' ILE . 78.8 mt -57.75 -60.45 2.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.185 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.636 HD21 ' HA ' ' A' ' 57' ' ' SER . 37.0 mt -52.77 -41.96 64.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -55.53 -26.35 42.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.5 t -94.09 -49.65 5.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.847 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.447 ' CD1' HG22 ' A' ' 74' ' ' ILE . 62.2 mt -53.06 -34.42 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.636 ' O ' HG23 ' A' ' 83' ' ' VAL . 6.0 t-160 -71.5 -47.67 53.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.7 m -67.21 -26.26 66.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.525 ' CE ' HD12 ' A' ' 49' ' ' LEU . 1.4 mtm -68.28 -57.95 5.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.857 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -55.29 -42.84 74.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 79' ' ' HIS . 98.0 t -60.07 -25.25 32.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.098 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -95.96 -74.45 0.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.742 HG23 HG22 ' A' ' 20' ' ' THR . 49.3 pt -78.92 -176.09 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.126 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.1 t 61.95 58.1 1.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 52.46 83.44 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.7 t -171.96 70.27 0.45 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.648 0.737 . . . . 0.0 110.816 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.86 138.54 37.74 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.695 2.263 . . . . 0.0 112.305 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -80.74 -74.8 0.3 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -179.14 128.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.104 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -32.06 67.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -162.38 102.39 1.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.112 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.4 t -94.55 85.76 4.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.06 -176.24 54.63 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.476 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 93.58 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.689 2.259 . . . . 0.0 112.333 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.05 119.45 28.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.35 147.45 4.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.874 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.441 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -138.95 114.85 10.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.819 0.343 . . . . 0.0 110.84 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m 63.11 82.53 0.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.821 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.54 122.32 3.38 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.473 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t 62.38 -178.5 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.915 0.388 . . . . 0.0 110.82 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.04 146.39 28.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.876 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.54 128.36 1.2 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.484 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.5 m 54.81 51.41 13.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.856 0.36 . . . . 0.0 110.844 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 28.6 mm100 -118.24 73.12 9.99 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.56 0.695 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 126.02 12.81 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.674 2.249 . . . . 0.0 112.326 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.64 167.93 9.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.37 30.5 7.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -92.24 64.27 4.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 32.7 mtm-85 -84.81 84.6 7.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.93 156.48 9.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.431 HG23 ' HD2' ' A' ' 17' ' ' PRO . 57.1 mt -91.73 133.05 31.54 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.593 0.711 . . . . 0.0 111.144 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.431 ' HD2' HG23 ' A' ' 16' ' ' ILE . 53.6 Cg_endo -69.78 -171.11 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.702 2.268 . . . . 0.0 112.357 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -96.49 125.86 41.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -93.98 -26.04 16.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.522 HG22 HG23 ' A' ' 85' ' ' ILE . 52.4 p -90.36 63.97 5.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.128 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -159.51 24.49 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -111.68 137.05 50.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.4 t -123.13 -42.41 2.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.104 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.4 p -122.81 135.78 54.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.138 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.519 HG21 ' O ' ' A' ' 46' ' ' PHE . 98.4 t -51.89 -30.9 12.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -61.29 -34.86 75.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.01 -50.19 12.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.445 ' CE3' HD11 ' A' ' 49' ' ' LEU . 12.6 t90 -52.92 -56.43 15.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.613 HD12 ' HA ' ' A' ' 38' ' ' ARG . 62.1 mt -55.62 -36.48 67.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.944 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.8 t -69.95 -18.41 63.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.44 -5.44 57.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.128 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.512 HD11 HD23 ' A' ' 29' ' ' LEU . 10.5 pt -124.82 11.04 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.146 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt 67.54 12.44 8.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 81.0 mmm -104.92 22.68 14.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.414 HG22 ' HE ' ' A' ' 38' ' ' ARG . 0.6 OUTLIER -58.16 -21.93 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -55.55 -25.3 37.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -100.77 27.52 5.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.613 ' HA ' HD12 ' A' ' 29' ' ' LEU . 7.8 ptp180 -72.6 -26.85 61.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.638 ' O ' HG22 ' A' ' 43' ' ' THR . 1.0 OUTLIER -90.33 -26.46 19.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.796 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -63.25 -42.52 99.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.786 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.518 ' HD2' HD11 ' A' ' 29' ' ' LEU . 56.8 m-85 -78.52 -43.55 26.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.475 HD12 ' O ' ' A' ' 38' ' ' ARG . 13.7 mt -52.01 -60.91 2.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.638 HG22 ' O ' ' A' ' 39' ' ' ASP . 12.6 t -60.2 -32.85 71.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.66 -21.3 66.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.063 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 108.48 17.09 10.94 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.474 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.519 ' O ' HG21 ' A' ' 25' ' ' VAL . 28.0 m-85 -113.87 73.6 0.83 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.952 0.406 . . . . 0.0 110.879 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 48.3 p -78.51 -32.71 48.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.155 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.5 m -110.1 147.19 34.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.828 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.546 HD12 ' CE ' ' A' ' 81' ' ' MET . 4.3 mm? -63.43 -27.61 69.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.38 -27.39 36.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 66.1 mt -89.75 -25.87 20.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.5 t -80.98 -28.38 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.103 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.557 HG22 ' HB3' ' A' ' 81' ' ' MET . 38.3 p -62.12 -24.8 67.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.169 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -101.29 25.71 7.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 36.5 mmt -104.45 -175.98 2.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.664 HG23 ' H ' ' A' ' 58' ' ' GLU . 14.5 t -151.21 174.01 13.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.158 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.733 ' HB3' HD11 ' A' ' 75' ' ' LEU . 0.4 OUTLIER -52.02 -30.17 24.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.867 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.664 ' H ' HG23 ' A' ' 56' ' ' THR . 6.5 mt-10 -64.35 -41.45 96.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.859 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -59.88 -36.92 77.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.853 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 19.7 mt -63.95 -41.89 97.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.845 HD23 HG22 ' A' ' 66' ' ' THR . 0.4 OUTLIER -75.38 -19.42 59.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.898 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -74.87 -40.23 61.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.886 HD11 HD12 ' A' ' 65' ' ' ILE . 34.4 pt -78.91 -28.21 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.549 ' O ' HG23 ' A' ' 66' ' ' THR . . . 146.64 -36.58 1.24 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.537 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.886 HD12 HD11 ' A' ' 63' ' ' ILE . 60.0 mt -52.35 102.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.912 0.387 . . . . 0.0 111.137 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.845 HG22 HD23 ' A' ' 61' ' ' LEU . 76.4 p -123.78 13.97 9.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -81.63 111.49 17.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.22 -40.95 68.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.082 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -71.7 -19.99 78.32 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.501 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.3 m170 -87.39 -48.64 7.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.756 0.312 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -53.8 -35.06 60.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -25.88 64.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -88.98 -47.07 8.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.506 HG22 ' CD1' ' A' ' 78' ' ' ILE . 75.6 mt -60.69 -59.86 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.073 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.733 HD11 ' HB3' ' A' ' 57' ' ' SER . 58.8 mt -53.02 -41.96 65.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.942 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -58.96 -26.69 64.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.96 -41.76 10.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.886 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.506 ' CD1' HG22 ' A' ' 74' ' ' ILE . 80.8 mt -64.62 -43.9 96.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.129 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.625 ' O ' HG23 ' A' ' 83' ' ' VAL . 2.9 t-160 -60.29 -39.25 86.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.832 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.6 m -79.91 -26.57 40.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.557 ' HB3' HG22 ' A' ' 53' ' ' THR . 0.5 OUTLIER -68.11 -56.0 10.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.929 179.917 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -53.16 -42.32 66.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 79' ' ' HIS . 92.0 t -60.75 -25.29 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -96.12 -74.45 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.522 HG23 HG22 ' A' ' 20' ' ' THR . 18.7 pt -81.63 -179.48 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.5 t 57.91 41.76 24.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.35 150.54 48.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.2 m -155.78 70.19 5.25 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.634 0.731 . . . . 0.0 110.87 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 122.31 8.98 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.691 2.26 . . . . 0.0 112.334 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.1 m -82.08 -28.54 32.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.164 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 59.4 76.84 0.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.065 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -122.62 166.33 15.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -89.6 118.03 28.92 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 68.8 m -136.99 95.44 3.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -151.62 71.69 0.29 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.452 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 91.44 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.714 2.276 . . . . 0.0 112.33 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 30.7 t -72.34 127.55 32.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.85 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 20.4 m -135.15 152.32 51.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 -179.963 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -62.96 136.48 57.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.852 0.358 . . . . 0.0 110.844 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.86 156.04 20.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.859 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.31 164.74 10.52 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.462 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 t -167.66 157.68 10.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.899 0.381 . . . . 0.0 110.847 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -170.25 145.9 2.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.836 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.79 -153.82 24.2 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.466 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.8 t -145.7 37.54 1.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.838 0.352 . . . . 0.0 110.877 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -117.2 72.55 6.64 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.631 0.729 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -177.64 1.96 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.717 2.278 . . . . 0.0 112.364 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 56.11 -174.74 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.957 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 32.8 mt 54.8 35.0 23.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -88.14 109.91 20.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.82 37.2 2.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 t 54.03 50.32 16.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.45 HG23 ' HD2' ' A' ' 17' ' ' PRO . 41.3 mm -56.84 133.16 79.18 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.605 0.716 . . . . 0.0 111.094 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.45 ' HD2' HG23 ' A' ' 16' ' ' ILE . 53.9 Cg_endo -69.79 -171.32 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.67 2.247 . . . . 0.0 112.313 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.01 127.76 53.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -98.48 -27.0 14.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.752 HG22 HG23 ' A' ' 85' ' ' ILE . 20.3 p -91.91 44.61 1.18 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.184 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.42 25.08 1.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.072 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -104.55 -175.3 2.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.0 t -168.33 -38.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.13 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.4 p -129.71 135.11 48.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.152 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.1 t -51.74 -30.43 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -62.42 -35.96 80.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.61 -49.33 13.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.557 ' CZ3' HG11 ' A' ' 52' ' ' VAL . 11.8 t90 -52.37 -57.03 11.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.621 HD12 ' HA ' ' A' ' 38' ' ' ARG . 60.2 mt -55.79 -36.52 67.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.957 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.0 t -69.38 -18.13 63.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.92 -8.09 54.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.102 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.507 HD11 HD23 ' A' ' 29' ' ' LEU . 10.3 pt -122.19 11.23 5.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.9 mttt 67.14 12.71 9.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 88.0 mmm -105.32 23.27 13.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.9 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.464 HG22 ' HE ' ' A' ' 38' ' ' ARG . 0.5 OUTLIER -58.51 -21.7 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -55.42 -25.49 36.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -100.95 27.79 5.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.621 ' HA ' HD12 ' A' ' 29' ' ' LEU . 7.7 ptp180 -73.05 -27.35 61.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.666 ' O ' HG22 ' A' ' 43' ' ' THR . 0.6 OUTLIER -88.86 -27.66 20.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.627 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -61.21 -40.83 95.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.803 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.567 ' HD2' HD11 ' A' ' 29' ' ' LEU . 62.1 m-85 -78.78 -43.53 25.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 34.6 mt -53.08 -60.42 3.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.666 HG22 ' O ' ' A' ' 39' ' ' ASP . 9.8 t -56.64 -35.31 68.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.9 -20.08 65.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.091 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.04 -16.9 22.61 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.518 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -77.32 89.36 3.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.924 0.392 . . . . 0.0 110.868 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 63.8 p -99.46 -24.91 14.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.154 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.7 m -115.17 133.42 56.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.616 HD12 ' CE ' ' A' ' 81' ' ' MET . 4.3 mm? -53.05 -28.85 26.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.929 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.12 -29.88 23.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 75.4 mt -91.09 -25.64 19.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.557 HG11 ' CZ3' ' A' ' 28' ' ' TRP . 96.0 t -75.68 -24.04 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.151 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.695 HG22 ' HB3' ' A' ' 81' ' ' MET . 51.7 p -69.19 -22.41 63.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -100.7 20.8 14.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.552 ' HE3' HG13 ' A' ' 52' ' ' VAL . 8.2 mtm -100.05 177.55 5.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.463 HG23 ' H ' ' A' ' 58' ' ' GLU . 14.0 t -149.86 175.22 11.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.106 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.711 ' HA ' HD21 ' A' ' 75' ' ' LEU . 4.1 t -51.91 -38.73 57.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.463 ' H ' HG23 ' A' ' 56' ' ' THR . 37.7 mt-10 -60.49 -32.91 71.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.873 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -70.86 -29.28 65.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.5 mt -68.63 -40.07 80.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.474 HD23 HG22 ' A' ' 66' ' ' THR . 0.2 OUTLIER -75.17 -19.14 60.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.924 179.907 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -75.52 -38.21 59.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.873 HD11 HD12 ' A' ' 65' ' ' ILE . 37.9 pt -81.42 -26.19 10.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.571 ' O ' HG23 ' A' ' 66' ' ' THR . . . 144.84 -37.22 1.36 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.413 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.873 HD12 HD11 ' A' ' 63' ' ' ILE . 63.5 mt -51.65 103.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.903 0.383 . . . . 0.0 111.136 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.571 HG23 ' O ' ' A' ' 64' ' ' GLY . 72.8 p -124.69 27.55 6.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.138 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.33 105.47 16.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.93 -34.62 60.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -74.96 -19.61 79.85 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.463 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 36.5 m170 -92.75 -48.37 6.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.805 0.336 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -51.97 -34.29 41.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -52.64 -33.24 45.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -81.26 -52.74 7.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.44 HD13 HD13 ' A' ' 65' ' ' ILE . 51.5 mt -54.84 -58.98 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.711 HD21 ' HA ' ' A' ' 57' ' ' SER . 22.0 mt -53.07 -42.86 66.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -59.16 -26.08 64.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.25 -41.21 12.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 61.6 mt -65.96 -39.48 84.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.129 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.612 ' O ' HG23 ' A' ' 83' ' ' VAL . 1.7 t-160 -64.96 -32.41 74.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.9 t -86.87 -26.48 23.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.695 ' HB3' HG22 ' A' ' 53' ' ' THR . 0.6 OUTLIER -70.39 -42.88 71.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -66.03 -42.27 89.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 79' ' ' HIS . 99.9 t -61.64 -25.36 36.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.084 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -95.31 -72.85 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.752 HG23 HG22 ' A' ' 20' ' ' THR . 11.4 pt -88.61 175.13 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.158 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.4 t 62.92 63.07 0.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -69.11 97.43 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.3 m -150.61 70.43 8.85 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.653 0.74 . . . . 0.0 110.865 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 107.17 1.8 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.699 2.266 . . . . 0.0 112.312 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.02 98.58 8.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 58.31 94.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.092 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -126.27 -47.27 1.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -105.69 53.45 0.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.08 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.78 142.03 31.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -97.71 -173.56 33.51 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.495 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -37.39 9.24 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.671 2.247 . . . . 0.0 112.36 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 31.9 p -103.27 102.13 12.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.819 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.56 -36.34 3.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.83 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.463 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.0 m -148.57 108.09 3.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.836 0.351 . . . . 0.0 110.89 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.3 m -84.13 114.31 21.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.54 -51.09 0.1 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.473 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.9 m -55.88 -32.64 63.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.0 110.889 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.4 t -167.82 162.42 13.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.86 37.25 8.63 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.504 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.3 m -144.94 104.56 4.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.33 . . . . 0.0 110.822 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -116.38 71.41 4.67 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.577 0.703 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 171.64 14.1 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.66 2.24 . . . . 0.0 112.351 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.3 mt -107.14 138.86 42.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.46 108.44 19.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -128.29 57.44 1.57 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -78.22 176.34 9.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.47 112.38 9.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.45 HG23 ' HD2' ' A' ' 17' ' ' PRO . 41.4 mm -73.94 133.2 79.18 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.623 0.725 . . . . 0.0 111.143 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.45 ' HD2' HG23 ' A' ' 16' ' ' ILE . 54.1 Cg_endo -69.75 -173.78 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.685 2.257 . . . . 0.0 112.348 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -97.37 110.43 22.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -77.76 -26.31 49.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.6 p -94.39 38.44 1.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.86 25.39 5.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.121 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -113.73 175.94 5.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.5 t -157.37 -42.22 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.121 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -133.04 159.38 40.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.441 HG21 ' O ' ' A' ' 46' ' ' PHE . 78.2 t -57.77 -48.43 83.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.098 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.554 ' OD1' HD11 ' A' ' 42' ' ' LEU . 5.8 m-20 -52.17 -38.09 56.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.29 -50.46 14.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.579 ' CB ' HD21 ' A' ' 49' ' ' LEU . 13.4 t90 -53.49 -55.99 20.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.608 HD12 ' HA ' ' A' ' 38' ' ' ARG . 61.0 mt -55.72 -36.59 67.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.3 t -70.22 -17.69 63.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.06 -7.05 54.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.101 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.506 HD11 HD23 ' A' ' 29' ' ' LEU . 11.4 pt -123.14 11.51 5.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.106 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt 67.03 12.85 9.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 87.8 mmm -105.15 22.63 15.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.87 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.42 HG22 ' HE ' ' A' ' 38' ' ' ARG . 0.5 OUTLIER -57.99 -22.11 18.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.169 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -55.6 -25.43 38.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -100.54 27.44 5.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.942 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.608 ' HA ' HD12 ' A' ' 29' ' ' LEU . 7.9 ptp180 -72.58 -25.99 61.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.601 ' O ' HG22 ' A' ' 43' ' ' THR . 2.3 m-20 -88.8 -28.28 20.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.678 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -62.53 -43.56 98.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.787 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.583 ' HD2' HD11 ' A' ' 29' ' ' LEU . 56.0 m-85 -77.03 -42.91 36.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.554 HD11 ' OD1' ' A' ' 26' ' ' ASP . 25.7 mt -55.21 -54.57 41.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.601 HG22 ' O ' ' A' ' 39' ' ' ASP . 14.6 t -67.31 -30.77 70.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.28 -20.26 65.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.085 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.54 -16.73 23.91 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.494 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.441 ' O ' HG21 ' A' ' 25' ' ' VAL . 26.9 m-85 -83.71 88.91 7.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.942 0.401 . . . . 0.0 110.906 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 48.6 p -99.63 -25.32 14.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.133 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 m -107.18 136.5 46.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.579 HD21 ' CB ' ' A' ' 28' ' ' TRP . 13.4 mt -59.41 -31.52 69.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -54.05 -27.87 35.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 85.6 mt -89.65 -26.23 20.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.504 HG13 ' HE3' ' A' ' 55' ' ' MET . 93.7 t -73.98 -24.66 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.124 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.581 HG22 ' HB3' ' A' ' 81' ' ' MET . 66.9 p -66.67 -23.67 66.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -99.54 22.26 11.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.504 ' HE3' HG13 ' A' ' 52' ' ' VAL . 11.6 mtm -105.83 165.24 11.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.679 HG23 ' H ' ' A' ' 58' ' ' GLU . 14.3 t -136.87 174.56 10.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.17 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.691 ' HB3' HD11 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -52.08 -30.13 24.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.818 -179.819 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.679 ' H ' HG23 ' A' ' 56' ' ' THR . 29.6 mt-10 -66.28 -39.3 89.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.42 -29.31 70.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.906 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.41 HD12 ' HG2' ' A' ' 71' ' ' GLN . 9.5 mt -68.22 -38.3 81.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.482 HD23 HG22 ' A' ' 66' ' ' THR . 0.1 OUTLIER -75.12 -19.15 60.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.887 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -75.58 -38.25 59.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.872 HD11 HD12 ' A' ' 65' ' ' ILE . 37.9 pt -81.35 -26.13 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.167 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.59 ' O ' HG23 ' A' ' 66' ' ' THR . . . 144.65 -37.03 1.39 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.531 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.872 HD12 HD11 ' A' ' 63' ' ' ILE . 63.9 mt -51.77 103.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.908 0.385 . . . . 0.0 111.121 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.59 HG23 ' O ' ' A' ' 64' ' ' GLY . 67.5 p -124.1 25.37 7.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.72 106.36 18.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.45 -37.92 63.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.078 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -72.4 -20.56 79.41 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.1 m170 -90.67 -42.55 10.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.726 0.298 . . . . 0.0 110.849 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.41 ' HG2' HD12 ' A' ' 60' ' ' LEU . 65.4 mt-30 -57.45 -33.45 67.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.67 -30.32 55.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.892 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.0 tttt -82.89 -47.51 11.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.474 HG23 ' HH2' ' A' ' 28' ' ' TRP . 69.0 mt -58.61 -59.24 3.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.131 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.691 HD11 ' HB3' ' A' ' 57' ' ' SER . 47.7 mt -53.4 -44.83 69.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 -55.66 -26.17 43.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.41 -51.91 5.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.826 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 62.0 mt -51.8 -36.01 18.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.64 ' O ' HG23 ' A' ' 83' ' ' VAL . 2.4 t-160 -70.38 -36.12 73.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.0 m -77.73 -26.93 50.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.581 ' HB3' HG22 ' A' ' 53' ' ' THR . 3.5 mtm -70.92 -54.84 9.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.83 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -52.31 -36.79 54.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 79' ' ' HIS . 90.3 t -66.98 -49.32 74.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -72.36 -73.83 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 39.4 pt -83.24 166.05 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -178.95 -62.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 56.5 88.36 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.52 160.52 30.29 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.665 0.745 . . . . 0.0 110.878 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -17.92 37.47 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.686 2.257 . . . . 0.0 112.349 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -94.73 138.02 33.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.145 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -119.61 158.91 25.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.112 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 1.5 mtp 58.13 -179.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 55.34 63.74 1.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.08 91.97 2.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 56.4 67.92 1.96 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.498 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -38.43 7.74 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.69 2.26 . . . . 0.0 112.371 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.5 t -75.74 -56.11 5.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.8 t 60.26 46.09 10.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.469 179.987 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.42 -0.272 . . . . 0.0 112.42 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 56.46 43.53 25.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.89 0.376 . . . . 0.0 110.856 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.83 117.22 4.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.832 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.05 90.73 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.529 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 m -109.18 167.12 10.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.902 0.382 . . . . 0.0 110.835 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 t -54.79 156.8 3.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.845 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.4 114.31 0.6 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.503 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.7 m -125.12 148.28 48.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.847 0.356 . . . . 0.0 110.814 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -57.03 160.57 5.99 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.639 0.733 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -172.33 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.692 2.261 . . . . 0.0 112.335 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 36.8 mt -56.78 170.29 0.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -95.18 39.67 1.11 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.71 62.84 0.86 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.04 -49.16 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.8 m -150.0 102.24 3.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.44 HG23 ' HD2' ' A' ' 17' ' ' PRO . 63.8 mt -73.56 133.11 80.4 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.628 0.727 . . . . 0.0 111.085 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.44 ' HD2' HG23 ' A' ' 16' ' ' ILE . 53.6 Cg_endo -69.82 -177.84 2.09 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.312 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -96.51 122.61 39.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -92.61 -26.46 17.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.1 p -93.64 43.33 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.171 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.99 28.52 2.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -113.74 -176.24 2.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.849 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.6 t -166.69 -41.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.172 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.33 154.27 46.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.435 HG11 ' CB ' ' A' ' 41' ' ' PHE . 67.5 t -56.52 -44.89 81.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.36 -34.36 70.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -75.49 -46.67 31.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.625 ' CZ3' HG11 ' A' ' 52' ' ' VAL . 10.4 t90 -57.95 -56.26 24.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.949 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.59 HD11 ' HD2' ' A' ' 41' ' ' PHE . 97.4 mt -55.68 -36.09 66.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.7 t -68.75 -18.71 64.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.27 -7.42 56.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.111 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.562 HD11 HD23 ' A' ' 29' ' ' LEU . 10.4 pt -122.89 10.82 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.173 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.5 mtmt 67.24 12.59 9.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 88.3 mmm -105.29 23.63 13.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.426 HG22 ' HE ' ' A' ' 38' ' ' ARG . 0.5 OUTLIER -59.42 -20.3 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -55.54 -25.34 37.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -100.43 27.54 5.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.426 ' HE ' HG22 ' A' ' 35' ' ' VAL . 6.0 ptp180 -72.27 -25.35 61.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.612 ' O ' HG22 ' A' ' 43' ' ' THR . 2.1 m-20 -87.93 -29.47 20.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.652 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.1 OUTLIER -62.3 -44.23 97.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.752 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.59 ' HD2' HD11 ' A' ' 29' ' ' LEU . 48.2 m-85 -73.29 -44.32 59.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.826 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.0 mt -55.85 -63.0 1.32 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.612 HG22 ' O ' ' A' ' 39' ' ' ASP . 14.6 t -57.1 -30.9 64.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.169 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.15 -19.97 64.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.12 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 111.7 -17.19 25.67 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.519 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.435 ' O ' HG21 ' A' ' 25' ' ' VAL . 27.4 m-85 -82.48 89.16 6.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.95 0.405 . . . . 0.0 110.874 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 68.0 p -96.81 -25.12 15.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.0 m -109.32 140.77 42.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.493 ' O ' HG23 ' A' ' 53' ' ' THR . 9.6 mt -61.68 -30.74 70.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -55.61 -26.12 42.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.7 mt -90.42 -26.32 19.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.625 HG11 ' CZ3' ' A' ' 28' ' ' TRP . 94.1 t -78.01 -26.63 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.54 HG22 ' HB3' ' A' ' 81' ' ' MET . 69.7 p -62.6 -24.8 67.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -101.69 25.73 8.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 35.3 mmt -103.91 169.42 8.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.5 t -140.04 174.03 10.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.159 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.9 t -52.06 -39.75 60.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.808 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -58.63 -36.64 74.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.852 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -66.96 -28.46 68.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.3 mt -69.3 -38.88 78.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.592 HD23 HG22 ' A' ' 66' ' ' THR . 0.2 OUTLIER -75.14 -19.16 60.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.866 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.55 -38.28 59.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.865 HD11 HD12 ' A' ' 65' ' ' ILE . 37.9 pt -81.27 -26.24 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.162 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.442 ' O ' HG23 ' A' ' 66' ' ' THR . . . 144.82 -37.14 1.37 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.865 HD12 HD11 ' A' ' 63' ' ' ILE . 63.2 mt -51.64 103.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.879 0.371 . . . . 0.0 111.128 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.592 HG22 HD23 ' A' ' 61' ' ' LEU . 44.2 p -126.09 40.21 3.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.153 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.567 HD22 ' CE1' ' A' ' 70' ' ' HIS . 0.2 OUTLIER -115.65 106.61 14.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.95 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.31 -31.97 55.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -77.57 -19.64 75.72 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.441 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.567 ' CE1' HD22 ' A' ' 67' ' ' LEU . 39.8 m170 -93.32 -45.95 7.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.731 0.3 . . . . 0.0 110.836 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -55.07 -33.7 62.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.13 -29.55 63.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.1 tttp -83.12 -48.78 10.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.482 HG22 HD11 ' A' ' 78' ' ' ILE . 72.8 mt -55.75 -61.43 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.107 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.4 mt -52.05 -43.56 63.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.96 -28.37 36.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.87 -45.03 9.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.482 HD11 HG22 ' A' ' 74' ' ' ILE . 75.5 mt -54.25 -48.85 66.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.144 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.642 ' O ' HG23 ' A' ' 83' ' ' VAL . 2.6 t-160 -56.4 -37.51 70.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.7 m -77.92 -26.76 49.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.54 ' HB3' HG22 ' A' ' 53' ' ' THR . 1.8 mtm -71.09 -55.07 9.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -52.12 -37.3 53.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 79' ' ' HIS . 91.1 t -66.8 -43.98 89.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -76.71 -74.38 0.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 29.9 pt -83.96 159.43 3.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.148 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.6 p -169.4 36.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -167.64 -42.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.3 t 52.61 68.46 3.06 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.695 0.759 . . . . 0.0 110.891 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 112.83 3.18 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.674 2.249 . . . . 0.0 112.387 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.29 163.8 28.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.182 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -137.48 87.57 2.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.116 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 26.3 ttp -141.21 81.33 1.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.945 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -156.82 148.34 22.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.084 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 25.5 p -146.68 147.43 30.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -162.54 73.61 0.19 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -33.24 17.07 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.68 2.254 . . . . 0.0 112.348 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.0 t -155.87 46.79 0.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.841 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.4 m 55.42 33.61 21.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.518 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -170.58 -179.46 2.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.885 0.374 . . . . 0.0 110.872 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 t -133.28 119.77 20.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.77 98.06 2.18 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.57 113.8 5.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.849 0.357 . . . . 0.0 110.894 -179.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.0 p -74.31 -175.64 2.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.89 22.62 4.82 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.506 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.9 p -108.5 38.37 2.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.83 0.348 . . . . 0.0 110.862 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -100.87 160.57 26.36 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.544 0.687 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 79.15 0.97 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.679 2.253 . . . . 0.0 112.313 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 63.11 163.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.57 152.79 32.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.04 178.74 7.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -170.25 173.42 5.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 p -158.28 162.83 37.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.843 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.437 HG23 ' HD2' ' A' ' 17' ' ' PRO . 59.4 mt -60.62 133.06 91.44 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.65 0.738 . . . . 0.0 111.131 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.437 ' HD2' HG23 ' A' ' 16' ' ' ILE . 53.5 Cg_endo -69.73 -173.26 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.685 2.257 . . . . 0.0 112.345 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -101.1 130.05 47.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.858 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -100.05 -26.37 13.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.6 p -93.45 42.02 1.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.38 25.69 4.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.121 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -111.8 -171.59 1.87 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.8 t -171.7 -41.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.159 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -132.46 151.07 52.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.164 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 90.7 t -52.52 -48.99 46.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.094 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.44 ' OD2' HD11 ' A' ' 42' ' ' LEU . 3.0 m-20 -52.15 -38.44 57.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.87 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.22 -50.86 13.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.577 ' CZ3' HG11 ' A' ' 52' ' ' VAL . 13.1 t90 -52.9 -55.98 19.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.943 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.614 HD12 ' HA ' ' A' ' 38' ' ' ARG . 60.5 mt -55.72 -36.59 67.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.926 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.8 t -69.88 -18.19 63.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.32 -7.67 54.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.114 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.502 HD11 HD23 ' A' ' 29' ' ' LEU . 10.8 pt -122.56 11.42 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.182 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 67.06 12.81 9.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 87.0 mmm -105.12 22.67 14.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -57.99 -22.29 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.09 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -55.49 -25.56 37.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -100.18 27.5 5.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.961 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.614 ' HA ' HD12 ' A' ' 29' ' ' LEU . 3.9 ptp85 -71.56 -26.05 62.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.848 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.628 ' O ' HG22 ' A' ' 43' ' ' THR . 1.1 m-20 -91.3 -27.04 18.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.839 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.641 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -62.8 -42.82 99.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.712 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.602 ' HD2' HD11 ' A' ' 29' ' ' LEU . 59.1 m-85 -78.07 -41.76 34.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.444 HD23 HG22 ' A' ' 47' ' ' THR . 30.5 mt -55.8 -59.86 4.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.628 HG22 ' O ' ' A' ' 39' ' ' ASP . 14.6 t -62.3 -30.71 71.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.9 -20.35 65.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.066 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.38 -16.84 21.83 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.537 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -84.42 88.85 7.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.909 0.385 . . . . 0.0 110.891 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.444 HG22 HD23 ' A' ' 42' ' ' LEU . 81.3 p -99.31 -25.78 14.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.6 m -105.68 133.94 49.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.563 HD21 ' CB ' ' A' ' 28' ' ' TRP . 33.4 mt -57.71 -32.22 67.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -54.46 -27.42 37.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 81.2 mt -88.3 -26.04 22.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.577 HG11 ' CZ3' ' A' ' 28' ' ' TRP . 94.5 t -75.01 -24.39 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.687 HG22 ' HB3' ' A' ' 81' ' ' MET . 50.1 p -66.59 -23.71 66.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -99.73 22.22 11.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.52 ' HE3' HG13 ' A' ' 52' ' ' VAL . 14.1 mtm -105.82 164.77 11.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.681 HG23 ' H ' ' A' ' 58' ' ' GLU . 14.3 t -135.93 174.66 10.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.645 ' CA ' HD21 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -52.03 -30.19 24.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.82 -179.884 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.681 ' H ' HG23 ' A' ' 56' ' ' THR . 39.3 mt-10 -66.28 -38.16 87.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -65.66 -28.63 69.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.846 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.4 mt -68.77 -38.08 79.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.468 HD23 HG22 ' A' ' 66' ' ' THR . 0.2 OUTLIER -75.2 -19.11 59.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.953 179.876 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -75.58 -38.31 59.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.882 HD11 HD12 ' A' ' 65' ' ' ILE . 37.9 pt -81.3 -26.21 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.117 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.616 ' O ' HG23 ' A' ' 66' ' ' THR . . . 144.84 -37.15 1.37 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.882 HD12 HD11 ' A' ' 63' ' ' ILE . 63.8 mt -51.74 103.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.941 0.401 . . . . 0.0 111.106 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.616 HG23 ' O ' ' A' ' 64' ' ' GLY . 81.8 p -125.32 25.28 7.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.49 107.94 20.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.45 -38.03 63.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -72.78 -19.77 79.47 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.514 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -89.83 -48.32 7.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.757 0.313 . . . . 0.0 110.838 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -52.41 -34.99 50.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.28 -34.38 46.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.8 tttp -81.76 -47.27 13.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.41 ' CD1' HD13 ' A' ' 65' ' ' ILE . 73.1 mt -56.49 -59.94 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.645 HD21 ' CA ' ' A' ' 57' ' ' SER . 47.4 mt -54.07 -42.29 69.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -57.64 -26.01 61.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.77 -47.26 7.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 62.3 mt -58.17 -36.82 59.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.102 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.623 ' O ' HG23 ' A' ' 83' ' ' VAL . 2.5 t-160 -68.32 -38.1 81.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.851 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.7 m -77.79 -26.52 49.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.687 ' HB3' HG22 ' A' ' 53' ' ' THR . 4.9 mtm -68.97 -56.93 6.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.13 -39.01 59.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 79' ' ' HIS . 93.5 t -65.56 -50.4 72.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 37.9 mm-40 -70.17 -74.46 0.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 45.9 pt -83.44 156.68 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.7 t -174.65 131.01 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -64.24 -172.9 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.95 160.57 2.17 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.665 0.745 . . . . 0.0 110.824 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 105.31 1.46 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.688 2.259 . . . . 0.0 112.298 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.1 t -98.56 -29.55 13.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.11 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 62.87 91.22 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.094 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.93 77.06 1.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -148.9 154.7 39.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 39.5 m -156.81 42.72 0.36 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.895 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 168.54 -73.66 0.13 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.423 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 147.22 62.43 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.687 2.258 . . . . 0.0 112.373 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -145.21 144.07 30.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.2 m 55.11 49.07 18.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.445 -179.949 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.2 t -124.2 120.59 32.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.847 0.356 . . . . 0.0 110.883 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.9 t -128.03 91.87 3.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.93 99.42 0.12 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.472 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -61.4 162.09 8.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.913 0.387 . . . . 0.0 110.848 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.34 38.02 1.97 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.03 -95.94 1.06 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.502 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.0 t -174.08 -43.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.838 0.351 . . . . 0.0 110.859 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -118.81 68.84 8.69 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.57 0.7 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -178.64 2.45 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.664 2.243 . . . . 0.0 112.357 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.2 mp -126.46 173.2 9.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.7 mt -101.81 135.46 43.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -79.39 -40.13 30.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -91.81 131.88 36.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 59.9 p -143.24 169.2 18.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.82 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.442 HG23 ' HD2' ' A' ' 17' ' ' PRO . 41.8 mm -83.19 133.23 48.23 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.652 0.739 . . . . 0.0 111.141 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.442 ' HD2' HG23 ' A' ' 16' ' ' ILE . 53.9 Cg_endo -69.75 -178.72 2.47 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.673 2.249 . . . . 0.0 112.344 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -97.16 109.74 22.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -74.07 -33.19 63.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.833 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.877 HG22 HG23 ' A' ' 85' ' ' ILE . 24.1 p -91.88 44.88 1.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.159 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.58 26.42 1.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.123 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -112.02 136.83 50.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 t -122.18 -35.49 3.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.1 p -127.72 134.77 49.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.556 HG21 ' O ' ' A' ' 46' ' ' PHE . 94.3 t -52.47 -29.95 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.65 -34.62 78.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.859 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.8 -46.81 28.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.565 ' CZ3' HG11 ' A' ' 52' ' ' VAL . 10.0 t90 -56.2 -56.17 24.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.623 HD23 HD11 ' A' ' 32' ' ' ILE . 92.4 mt -56.14 -34.65 66.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.7 t -70.0 -17.95 63.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.11 -7.91 54.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.107 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.623 HD11 HD23 ' A' ' 29' ' ' LEU . 10.7 pt -121.93 10.93 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.8 mttt 67.35 12.55 8.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 86.1 mmm -105.32 23.5 13.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.401 HG22 ' HE ' ' A' ' 38' ' ' ARG . 0.5 OUTLIER -58.56 -21.29 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.126 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -55.47 -25.53 37.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -100.13 27.49 5.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.936 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.544 ' O ' HD12 ' A' ' 42' ' ' LEU . 6.8 ptp180 -71.92 -25.53 61.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.857 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.606 ' O ' HG22 ' A' ' 43' ' ' THR . 1.3 m-20 -89.67 -28.66 19.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.716 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.8 OUTLIER -62.21 -43.82 97.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.75 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.592 ' HD2' HD11 ' A' ' 29' ' ' LEU . 51.6 m-85 -75.58 -42.14 52.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.544 HD12 ' O ' ' A' ' 38' ' ' ARG . 12.0 mt -57.29 -61.64 2.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.606 HG22 ' O ' ' A' ' 39' ' ' ASP . 14.6 t -57.58 -30.96 65.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.513 ' HB2' HG22 ' A' ' 63' ' ' ILE . . . -67.12 -20.6 65.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 108.1 16.73 11.86 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.448 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.556 ' O ' HG21 ' A' ' 25' ' ' VAL . 29.0 m-85 -113.2 74.32 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.933 0.397 . . . . 0.0 110.898 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 44.9 p -78.67 -26.82 45.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.14 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.5 m -114.56 149.98 35.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.466 HD12 ' CE ' ' A' ' 81' ' ' MET . 4.3 mm? -66.53 -26.93 67.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.928 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -55.64 -26.04 42.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.6 mt -91.88 -26.08 18.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.951 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.565 HG11 ' CZ3' ' A' ' 28' ' ' TRP . 92.3 t -80.9 -27.19 11.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.143 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.581 HG22 ' HB3' ' A' ' 81' ' ' MET . 33.4 p -63.21 -24.85 68.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -101.78 25.95 8.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 31.6 mmt -103.11 -176.12 3.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.567 HG23 ' H ' ' A' ' 58' ' ' GLU . 14.5 t -151.78 173.98 14.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.191 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.679 ' HA ' HD21 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -52.06 -33.78 40.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.858 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.567 ' H ' HG23 ' A' ' 56' ' ' THR . 9.9 mt-10 -61.56 -42.69 99.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -58.53 -35.61 72.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.9 mt -61.66 -41.38 97.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.688 HD23 HG22 ' A' ' 66' ' ' THR . 0.2 OUTLIER -74.62 -19.26 60.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.859 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -75.44 -39.83 58.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.871 HD11 HD12 ' A' ' 65' ' ' ILE . 37.1 pt -79.55 -28.41 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.1 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.527 ' O ' HG23 ' A' ' 66' ' ' THR . . . 147.24 -37.01 1.17 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.459 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.871 HD12 HD11 ' A' ' 63' ' ' ILE . 60.2 mt -51.61 103.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.929 0.395 . . . . 0.0 111.175 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.688 HG22 HD23 ' A' ' 61' ' ' LEU . 61.6 p -122.85 29.95 6.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.145 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.84 107.96 19.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.72 -42.15 67.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.11 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.24 -19.65 72.46 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.46 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 38.5 m170 -90.7 -45.1 9.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.761 0.315 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -57.66 -34.63 69.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.5 ttmm -57.35 -26.84 61.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -87.25 -39.75 15.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.556 HG22 ' CD1' ' A' ' 78' ' ' ILE . 79.6 mt -66.73 -58.61 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.091 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.679 HD21 ' HA ' ' A' ' 57' ' ' SER . 15.3 mt -53.02 -40.89 64.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.94 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -56.79 -25.99 56.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.933 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.16 -40.92 9.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.556 ' CD1' HG22 ' A' ' 74' ' ' ILE . 81.0 mt -63.06 -44.23 99.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.157 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.621 ' O ' HG23 ' A' ' 83' ' ' VAL . 2.9 t-160 -61.96 -40.06 94.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.8 m -76.85 -26.61 54.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.581 ' HB3' HG22 ' A' ' 53' ' ' THR . 0.8 OUTLIER -67.83 -57.44 6.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.88 179.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.23 -46.34 65.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 79' ' ' HIS . 91.1 t -56.09 -26.58 21.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.146 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -93.38 -71.4 0.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.877 HG23 HG22 ' A' ' 20' ' ' THR . 39.5 pt -88.47 152.16 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.6 t -173.73 -41.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -56.37 166.06 0.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 m 56.24 71.52 1.18 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.698 0.761 . . . . 0.0 110.854 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -25.14 28.82 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.637 2.224 . . . . 0.0 112.355 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 61.91 100.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 62.03 96.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.097 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.24 160.85 32.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -71.75 163.59 27.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.085 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.3 p -67.42 -41.38 84.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.828 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 96.49 174.96 35.63 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.5 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 107.69 1.92 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.677 2.251 . . . . 0.0 112.341 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 34.1 t -60.3 -39.15 85.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.4 m -143.9 135.52 26.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.478 -179.947 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -122.58 124.43 43.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.892 0.377 . . . . 0.0 110.862 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.57 107.7 19.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.09 -22.28 52.79 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.49 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.26 159.73 15.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.888 0.375 . . . . 0.0 110.831 -179.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 m -75.0 77.47 2.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.64 179.91 24.8 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.526 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.35 117.36 27.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.347 . . . . 0.0 110.864 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.7 mm100 52.78 68.68 2.85 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.595 0.712 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 108.48 2.08 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.727 2.285 . . . . 0.0 112.308 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.11 178.56 6.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.1 mt 53.74 74.13 0.34 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -73.39 -58.13 3.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 59.98 28.72 18.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 m -103.48 83.39 2.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.788 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.429 HG23 ' HD2' ' A' ' 17' ' ' PRO . 61.3 mt -105.97 133.09 20.37 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.596 0.712 . . . . 0.0 111.116 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.429 ' HD2' HG23 ' A' ' 16' ' ' ILE . 53.9 Cg_endo -69.8 -173.57 0.75 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.681 2.254 . . . . 0.0 112.314 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.68 128.68 47.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -95.87 22.96 6.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.3 p -115.86 26.41 10.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.137 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.35 27.62 9.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.431 ' HB3' HD11 ' A' ' 49' ' ' LEU . 23.9 m-85 -110.57 -175.84 2.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.7 t -169.29 -41.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.162 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.89 151.2 50.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 80.9 t -54.07 -47.17 66.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.41 -34.41 64.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -75.74 -46.65 29.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.618 ' CZ3' HG11 ' A' ' 52' ' ' VAL . 11.0 t90 -57.84 -56.43 22.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.614 HD23 HD11 ' A' ' 32' ' ' ILE . 93.1 mt -56.09 -35.01 66.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.6 t -70.14 -17.89 63.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.45 -7.76 54.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.614 HD11 HD23 ' A' ' 29' ' ' LEU . 11.3 pt -122.15 11.24 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt 67.12 12.69 9.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 88.0 mmm -105.29 23.41 13.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.69 -21.21 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.128 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -55.58 -25.38 37.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.946 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -100.4 27.32 5.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.963 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.442 ' HA ' HD12 ' A' ' 29' ' ' LEU . 7.6 ptp180 -72.13 -25.61 61.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.631 ' O ' HG22 ' A' ' 43' ' ' THR . 0.4 OUTLIER -89.0 -28.95 19.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.556 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -61.8 -44.03 97.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 -179.755 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.592 ' HD2' HD11 ' A' ' 29' ' ' LEU . 49.8 m-85 -74.26 -42.53 59.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 40.1 mt -56.92 -62.04 2.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.631 HG22 ' O ' ' A' ' 39' ' ' ASP . 15.2 t -58.3 -31.61 67.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.174 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.87 -20.04 65.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.71 -17.51 22.99 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.501 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -82.8 88.27 6.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.989 0.423 . . . . 0.0 110.918 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 81.8 p -96.0 -25.16 16.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.174 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.9 m -110.83 140.19 45.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.651 ' O ' HG23 ' A' ' 53' ' ' THR . 7.7 mt -56.65 -32.51 65.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -55.34 -26.28 39.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.4 mt -87.31 -25.85 23.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.618 HG11 ' CZ3' ' A' ' 28' ' ' TRP . 92.3 t -84.65 -25.14 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.651 HG23 ' O ' ' A' ' 49' ' ' LEU . 73.4 p -62.95 -24.53 67.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -105.51 29.54 6.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 35.0 mmt -104.9 179.06 4.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.6 t -146.5 173.85 11.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.122 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.448 ' CA ' HD21 ' A' ' 75' ' ' LEU . 0.5 OUTLIER -52.14 -45.96 65.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.889 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -55.11 -42.56 73.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -59.27 -26.67 65.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.9 mt -71.09 -36.77 72.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.86 -18.93 59.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 17.7 mtm180 -76.25 -37.79 57.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.904 HD11 HD12 ' A' ' 65' ' ' ILE . 37.6 pt -81.1 -26.81 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.105 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.442 ' O ' HG23 ' A' ' 66' ' ' THR . . . 145.41 -36.9 1.34 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.904 HD12 HD11 ' A' ' 63' ' ' ILE . 60.6 mt -52.75 102.48 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.904 0.383 . . . . 0.0 111.12 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.442 HG23 ' O ' ' A' ' 64' ' ' GLY . 46.9 p -123.23 34.38 5.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.99 104.71 12.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.52 -37.17 62.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.058 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -72.58 -19.97 79.32 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.46 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -91.66 -46.22 8.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.692 0.282 . . . . 0.0 110.824 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -54.12 -33.35 57.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.51 -28.54 60.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.826 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.0 tttt -84.6 -41.78 16.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.907 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.594 HG22 HD11 ' A' ' 78' ' ' ILE . 53.4 mt -63.28 -61.33 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.448 HD21 ' CA ' ' A' ' 57' ' ' SER . 9.3 mt -52.64 -43.37 65.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -55.31 -26.31 39.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.3 t -91.96 -39.36 11.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.594 HD11 HG22 ' A' ' 74' ' ' ILE . 62.4 mt -60.25 -47.0 93.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.615 ' O ' HG23 ' A' ' 83' ' ' VAL . 2.1 t-160 -57.24 -36.88 71.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.2 m -80.53 -27.32 37.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.405 ' HB3' HG22 ' A' ' 53' ' ' THR . 1.1 mtm -68.37 -56.0 10.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -52.24 -42.33 63.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 79' ' ' HIS . 91.4 t -61.19 -39.97 84.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -77.53 -74.41 0.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 34.1 pt -84.14 145.81 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.7 t -179.21 124.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.41 155.92 23.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.874 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -97.14 160.57 28.69 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.689 0.757 . . . . 0.0 110.878 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -21.5 33.33 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.686 2.257 . . . . 0.0 112.311 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 4.2 m -66.14 129.78 40.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.143 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -137.63 -178.09 5.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.073 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -74.01 94.88 2.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.36 165.85 1.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.093 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.27 126.01 44.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 86.46 -178.61 49.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.477 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 117.52 5.13 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.398 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.33 141.84 55.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -107.66 -59.11 1.88 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 179.978 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -81.62 -64.29 1.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.892 0.377 . . . . 0.0 110.886 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -112.85 -27.31 8.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.82 -86.69 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.496 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.3 m -139.49 83.05 1.92 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.895 0.379 . . . . 0.0 110.864 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -141.81 -177.0 4.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.69 47.24 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.469 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -103.53 144.07 31.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.778 0.323 . . . . 0.0 110.846 -179.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -124.91 72.43 63.2 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.606 0.717 . . . . 0.0 110.937 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 169.25 19.38 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.705 2.27 . . . . 0.0 112.293 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.1 mt -127.57 153.74 46.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.5 mt -63.98 126.81 28.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.952 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -137.0 -47.65 0.59 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -124.65 97.66 5.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.7 p -106.93 68.58 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.451 HG23 ' HD2' ' A' ' 17' ' ' PRO . 41.6 mm -60.19 133.22 90.36 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.635 0.731 . . . . 0.0 111.128 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.451 ' HD2' HG23 ' A' ' 16' ' ' ILE . 53.7 Cg_endo -69.82 -176.46 1.51 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.691 2.26 . . . . 0.0 112.359 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -98.17 117.45 32.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.819 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -82.72 -26.46 31.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.3 p -94.01 41.58 1.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.185 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.14 25.8 4.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.062 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -115.12 -170.83 1.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.6 t -172.49 -40.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.155 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -133.01 154.66 50.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.111 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 44.4 t -54.63 -50.95 55.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.414 ' OD2' HD11 ' A' ' 42' ' ' LEU . 2.7 m-20 -51.98 -31.89 31.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.9 -52.06 7.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.646 ' CZ3' HG11 ' A' ' 52' ' ' VAL . 12.9 t90 -53.0 -55.21 25.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.578 HD11 ' HD2' ' A' ' 41' ' ' PHE . 79.5 mt -55.57 -37.16 67.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.9 t -69.59 -18.48 63.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.825 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.27 -6.09 57.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.059 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.505 HD11 HD23 ' A' ' 29' ' ' LEU . 11.4 pt -124.23 11.07 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.134 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 67.41 12.49 8.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 85.6 mmm -105.03 22.81 14.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -58.04 -21.67 17.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.123 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -55.48 -25.44 36.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -99.79 27.34 5.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.542 ' HA ' HD12 ' A' ' 29' ' ' LEU . 3.6 ptp85 -71.49 -26.19 62.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.621 ' O ' HG22 ' A' ' 43' ' ' THR . 0.6 OUTLIER -91.0 -27.09 18.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.8 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -62.96 -42.89 99.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.795 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.578 ' HD2' HD11 ' A' ' 29' ' ' LEU . 55.5 m-85 -77.61 -43.09 32.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.414 HD11 ' OD2' ' A' ' 26' ' ' ASP . 22.5 mt -54.48 -62.3 1.74 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.621 HG22 ' O ' ' A' ' 39' ' ' ASP . 14.6 t -58.93 -30.76 68.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.149 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.34 -20.2 65.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.078 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.6 -17.21 21.03 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.494 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -81.16 89.11 5.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.948 0.404 . . . . 0.0 110.893 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.4 p -98.73 -25.36 14.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.107 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 66.3 m -107.76 136.06 48.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.611 HD21 ' CB ' ' A' ' 28' ' ' TRP . 29.5 mt -58.24 -32.46 68.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -54.93 -26.84 38.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 85.1 mt -86.91 -30.49 21.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.646 HG11 ' CZ3' ' A' ' 28' ' ' TRP . 93.8 t -73.55 -27.42 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.175 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.626 HG22 ' HB3' ' A' ' 81' ' ' MET . 51.0 p -62.75 -24.98 67.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -101.07 25.65 7.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.947 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 38.1 mmt -103.72 170.93 7.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.436 HG23 ' H ' ' A' ' 58' ' ' GLU . 14.7 t -142.31 173.47 11.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.177 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.567 ' CA ' HD21 ' A' ' 75' ' ' LEU . 3.4 t -52.11 -37.32 53.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.436 ' H ' HG23 ' A' ' 56' ' ' THR . 18.3 mt-10 -61.12 -33.42 73.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -70.65 -26.77 63.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.8 mt -72.87 -37.39 67.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.754 HD23 HG22 ' A' ' 66' ' ' THR . 0.3 OUTLIER -75.37 -19.53 59.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.892 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -75.17 -38.1 61.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.898 HD11 HD12 ' A' ' 65' ' ' ILE . 37.8 pt -81.48 -26.14 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.75 -37.39 1.36 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.481 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.898 HD12 HD11 ' A' ' 63' ' ' ILE . 62.0 mt -51.85 102.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.942 0.401 . . . . 0.0 111.182 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.754 HG22 HD23 ' A' ' 61' ' ' LEU . 18.1 p -117.27 -18.4 9.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.166 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -55.27 108.4 0.41 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.89 -26.47 35.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.079 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -82.12 -21.43 60.92 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.499 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -89.03 -34.06 16.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.699 0.285 . . . . 0.0 110.854 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.409 ' O ' HD12 ' A' ' 75' ' ' LEU . 51.5 mt-30 -69.04 -32.36 71.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.932 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.55 -28.74 70.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -82.27 -46.83 13.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.493 HG22 ' CD1' ' A' ' 78' ' ' ILE . 55.0 mt -57.82 -58.7 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.567 HD21 ' CA ' ' A' ' 57' ' ' SER . 6.0 mt -52.64 -43.33 65.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.944 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -57.24 -27.13 61.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.51 -45.72 8.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.493 ' CD1' HG22 ' A' ' 74' ' ' ILE . 77.1 mt -59.77 -45.12 95.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.574 ' O ' HG23 ' A' ' 83' ' ' VAL . 1.3 t-160 -60.52 -26.75 67.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.859 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.3 m -90.12 -26.61 20.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.626 ' HB3' HG22 ' A' ' 53' ' ' THR . 0.3 OUTLIER -68.78 -53.05 23.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.903 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -54.8 -45.72 74.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 79' ' ' HIS . 96.1 t -54.85 -26.98 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.188 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -95.64 -74.34 0.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 37.8 pt -83.67 152.96 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.114 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.1 t -169.73 -55.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.38 -65.68 0.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -146.89 160.62 40.04 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.647 0.737 . . . . 0.0 110.887 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 170.97 15.39 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.687 2.258 . . . . 0.0 112.335 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.2 t -129.6 133.88 47.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -141.79 178.07 7.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.69 -41.77 18.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.85 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 61.4 92.51 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.087 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.4 t -97.04 -59.64 1.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.838 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -57.49 -73.8 0.41 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.474 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 130.88 20.13 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.621 2.214 . . . . 0.0 112.382 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.77 132.49 53.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.11 134.97 53.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.491 -179.975 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -62.04 128.0 34.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.873 0.368 . . . . 0.0 110.853 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.9 m -162.22 156.48 21.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.53 104.19 0.36 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.498 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.66 153.01 4.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.896 0.379 . . . . 0.0 110.895 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 t -88.64 -66.87 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.808 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.24 40.12 0.16 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.554 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.98 163.56 2.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.797 0.332 . . . . 0.0 110.85 -179.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -119.73 70.49 13.57 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.569 0.7 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 85.59 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.68 2.253 . . . . 0.0 112.317 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 pp -59.09 152.1 20.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -153.02 169.83 21.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.86 -61.11 1.44 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -83.04 117.55 22.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 55.6 p -87.22 78.07 8.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.432 HG23 ' HD2' ' A' ' 17' ' ' PRO . 62.2 mt -83.95 133.09 46.51 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.572 0.701 . . . . 0.0 111.168 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.432 ' HD2' HG23 ' A' ' 16' ' ' ILE . 53.5 Cg_endo -69.84 -178.36 2.34 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.666 2.244 . . . . 0.0 112.308 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -96.63 112.49 24.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.819 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -76.71 -30.35 56.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.52 HG22 HG23 ' A' ' 85' ' ' ILE . 20.8 p -91.91 44.57 1.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.131 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.1 25.48 1.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.043 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -111.72 136.17 51.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.856 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.0 t -124.72 -36.37 2.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.089 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.2 p -126.02 133.87 51.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.149 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.433 HG21 ' O ' ' A' ' 46' ' ' PHE . 96.7 t -51.68 -32.5 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.132 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -60.44 -35.4 75.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -76.64 -51.31 11.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.471 ' CE3' HD11 ' A' ' 49' ' ' LEU . 13.0 t90 -52.63 -56.0 18.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.951 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.61 HD12 ' HA ' ' A' ' 38' ' ' ARG . 59.9 mt -55.59 -36.57 67.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.8 t -69.87 -18.53 63.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.97 -7.11 56.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.114 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.496 HD11 HD23 ' A' ' 29' ' ' LEU . 10.5 pt -123.21 11.15 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.3 mttt 67.42 12.49 8.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 58.1 mmm -104.71 22.53 14.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -57.74 -22.53 18.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -55.44 -25.48 36.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -100.1 27.54 5.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.61 ' HA ' HD12 ' A' ' 29' ' ' LEU . 3.8 ptp85 -71.94 -26.03 62.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.884 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.665 ' O ' HG22 ' A' ' 43' ' ' THR . 0.9 OUTLIER -90.12 -29.04 18.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.602 ' HB3' HD12 ' A' ' 63' ' ' ILE . 1.3 t -59.97 -43.2 95.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.493 ' HD2' HD11 ' A' ' 29' ' ' LEU . 60.1 m-85 -78.39 -43.6 27.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.431 HD12 ' O ' ' A' ' 38' ' ' ARG . 16.6 mt -52.18 -62.67 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.665 HG22 ' O ' ' A' ' 39' ' ' ASP . 12.3 t -58.34 -32.93 68.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.473 ' HB2' HG22 ' A' ' 63' ' ' ILE . . . -64.58 -21.28 66.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.091 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 108.12 16.63 12.04 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.446 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.433 ' O ' HG21 ' A' ' 25' ' ' VAL . 28.8 m-85 -113.14 79.71 1.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.934 0.397 . . . . 0.0 110.887 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 43.7 p -86.94 -25.23 24.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.138 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.8 m -116.53 136.64 52.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.54 HD12 ' CE ' ' A' ' 81' ' ' MET . 4.3 mm? -55.57 -26.58 44.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -54.28 -27.63 36.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.3 mt -91.88 -25.96 18.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.1 t -79.18 -27.93 13.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.483 HG22 ' HB3' ' A' ' 81' ' ' MET . 37.6 p -62.45 -24.87 67.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -101.62 26.05 7.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 36.3 mmt -104.35 -176.05 2.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.657 HG23 ' H ' ' A' ' 58' ' ' GLU . 14.6 t -151.93 173.92 14.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.142 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.701 ' HB3' HD11 ' A' ' 75' ' ' LEU . 0.2 OUTLIER -52.08 -30.07 24.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.847 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.657 ' H ' HG23 ' A' ' 56' ' ' THR . 20.6 mt-10 -64.13 -44.42 92.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -58.02 -37.15 73.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.838 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.8 mt -61.67 -42.11 98.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.619 HD23 HG22 ' A' ' 66' ' ' THR . 0.6 OUTLIER -74.05 -19.21 60.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 179.879 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.0 mtm180 -74.81 -42.36 58.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.897 HD11 HD12 ' A' ' 65' ' ' ILE . 33.3 pt -77.0 -30.14 17.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 148.84 -36.29 1.06 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.511 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.897 HD12 HD11 ' A' ' 63' ' ' ILE . 58.8 mt -51.72 102.98 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 111.162 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.619 HG22 HD23 ' A' ' 61' ' ' LEU . 26.0 p -124.7 13.5 8.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -81.5 106.98 13.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.95 -33.41 56.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.154 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -78.5 -19.35 74.02 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.473 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.8 m170 -91.03 -46.38 8.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.76 0.314 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -52.7 -39.3 61.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.01 -26.61 38.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -86.72 -43.22 12.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.496 HG22 ' CD1' ' A' ' 78' ' ' ILE . 76.3 mt -61.96 -60.21 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.701 HD11 ' HB3' ' A' ' 57' ' ' SER . 36.3 mt -53.38 -40.49 65.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -59.35 -26.08 64.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.54 -42.62 9.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.496 ' CD1' HG22 ' A' ' 74' ' ' ILE . 78.0 mt -63.43 -43.24 98.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.134 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.615 ' O ' HG23 ' A' ' 83' ' ' VAL . 3.3 t-160 -57.59 -40.24 78.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.5 t -81.3 -26.65 35.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.54 ' CE ' HD12 ' A' ' 49' ' ' LEU . 0.4 OUTLIER -67.49 -51.14 54.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -59.52 -43.93 93.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 79' ' ' HIS . 97.6 t -60.69 -26.92 39.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -89.74 -71.56 0.6 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.52 HG23 HG22 ' A' ' 20' ' ' THR . 44.8 pt -88.26 154.35 3.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.107 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 t -177.0 113.27 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 55.72 50.52 14.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.3 m -75.07 160.57 80.14 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.694 0.759 . . . . 0.0 110.854 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 112.02 2.96 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.735 2.29 . . . . 0.0 112.334 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.09 162.06 15.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -100.97 -175.08 2.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.117 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 45.3 mtm -107.89 128.45 54.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -126.52 132.04 51.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.4 t -64.89 97.82 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.837 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -82.76 -71.56 1.31 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 94.7 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.639 2.226 . . . . 0.0 112.336 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 36.9 p -65.19 143.01 58.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.68 86.03 4.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.466 179.999 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.459 -0.257 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.3 t -77.62 138.45 39.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.847 0.355 . . . . 0.0 110.892 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.0 m -139.47 92.68 2.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.8 -89.59 0.76 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.459 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.4 t -127.72 67.07 1.33 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.846 0.355 . . . . 0.0 110.86 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.4 p -58.64 143.02 47.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.72 -103.07 0.19 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.466 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.57 -176.14 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.807 0.337 . . . . 0.0 110.868 -179.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.83 73.13 2.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.584 0.706 . . . . 0.0 110.941 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 97.83 0.66 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.699 2.266 . . . . 0.0 112.321 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 mp -102.5 160.45 14.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.6 mt -83.67 154.99 23.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 54.62 64.42 1.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -130.1 -53.23 1.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.31 115.35 2.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.45 HG23 ' HD2' ' A' ' 17' ' ' PRO . 41.8 mm -73.43 133.15 80.77 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.601 0.715 . . . . 0.0 111.171 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.45 ' HD2' HG23 ' A' ' 16' ' ' ILE . 54.0 Cg_endo -69.74 -178.28 2.26 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.705 2.27 . . . . 0.0 112.349 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -99.68 129.34 45.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -101.43 -26.2 13.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.915 HG22 HG23 ' A' ' 85' ' ' ILE . 20.2 p -91.49 45.05 1.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.181 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.89 25.09 1.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -105.38 -175.29 2.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.1 t -168.65 -38.5 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.129 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.0 p -128.75 135.23 48.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.174 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 98.6 t -51.6 -30.43 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.441 ' OD1' HD11 ' A' ' 42' ' ' LEU . 9.2 m-20 -62.65 -36.24 82.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.85 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.39 -49.88 13.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.469 ' CE3' HD11 ' A' ' 49' ' ' LEU . 12.5 t90 -52.87 -56.46 15.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.614 HD12 ' HA ' ' A' ' 38' ' ' ARG . 61.0 mt -55.73 -36.37 67.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.6 t -70.05 -18.33 63.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.47 -5.45 57.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.089 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.506 HD11 HD23 ' A' ' 29' ' ' LEU . 10.5 pt -124.86 10.9 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.165 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 67.6 12.45 8.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 57.9 mmm -104.81 22.52 15.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.466 HG22 ' HE ' ' A' ' 38' ' ' ARG . 0.6 OUTLIER -58.17 -21.78 18.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.159 179.919 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -55.5 -25.45 37.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -100.94 27.43 6.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.614 ' HA ' HD12 ' A' ' 29' ' ' LEU . 7.5 ptp180 -72.88 -27.8 62.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.622 ' O ' HG22 ' A' ' 43' ' ' THR . 1.4 m-20 -87.7 -27.33 22.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.775 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -62.92 -42.92 99.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.807 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.521 ' HD2' HD11 ' A' ' 29' ' ' LEU . 56.7 m-85 -78.28 -40.99 35.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.441 HD11 ' OD1' ' A' ' 26' ' ' ASP . 18.1 mt -56.54 -61.09 2.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.622 HG22 ' O ' ' A' ' 39' ' ' ASP . 14.6 t -60.09 -30.91 69.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.58 -20.2 65.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.105 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 114.0 -17.71 19.61 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.486 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -80.94 85.86 6.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.949 0.404 . . . . 0.0 110.916 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.2 p -92.56 -32.33 14.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.183 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.7 m -109.04 135.32 50.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.548 HD12 ' CE ' ' A' ' 81' ' ' MET . 4.3 mm? -53.17 -28.68 27.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -52.74 -29.26 26.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 74.5 mt -89.74 -26.03 20.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.403 HG11 ' CZ3' ' A' ' 28' ' ' TRP . 94.5 t -75.31 -35.7 34.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.566 HG22 ' HB3' ' A' ' 81' ' ' MET . 45.9 p -56.53 -24.32 45.87 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -99.62 25.2 7.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 27.6 mmt -108.51 171.51 7.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.627 HG23 ' H ' ' A' ' 58' ' ' GLU . 14.5 t -140.38 174.25 10.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.187 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.734 ' HB3' HD11 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -52.09 -31.84 32.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 -179.848 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.627 ' H ' HG23 ' A' ' 56' ' ' THR . 37.7 mt-10 -66.01 -36.11 82.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.514 ' OD2' HG22 ' A' ' 56' ' ' THR . 12.0 m-20 -66.17 -28.35 68.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.5 mt -72.06 -38.02 69.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 1.019 HD23 HG22 ' A' ' 66' ' ' THR . 0.3 OUTLIER -75.57 -19.06 59.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.919 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.7 mtp85 -75.57 -39.27 58.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.887 HD11 HD12 ' A' ' 65' ' ' ILE . 35.5 pt -79.82 -27.18 12.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.491 ' O ' HG23 ' A' ' 66' ' ' THR . . . 145.57 -36.66 1.34 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.47 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.887 HD12 HD11 ' A' ' 63' ' ' ILE . 60.5 mt -52.63 102.49 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.902 0.382 . . . . 0.0 111.159 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 1.019 HG22 HD23 ' A' ' 61' ' ' LEU . 65.0 p -124.4 14.21 8.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -81.49 107.08 13.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.966 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.13 -32.4 55.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -79.22 -19.61 71.66 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.514 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 38.2 m170 -91.29 -46.42 8.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.744 0.307 . . . . 0.0 110.831 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -52.02 -40.33 60.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.97 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -53.17 -28.66 27.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -83.22 -53.04 6.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.894 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.509 HG22 ' CD1' ' A' ' 78' ' ' ILE . 77.1 mt -52.51 -60.07 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.088 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.734 HD11 ' HB3' ' A' ' 57' ' ' SER . 40.2 mt -53.34 -41.64 65.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.12 -25.79 64.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.17 -41.53 10.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.828 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.509 ' CD1' HG22 ' A' ' 74' ' ' ILE . 81.2 mt -65.03 -43.81 95.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.121 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.618 ' O ' HG23 ' A' ' 83' ' ' VAL . 2.8 t-160 -57.4 -38.98 75.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 30.6 t -81.77 -30.53 32.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.566 ' HB3' HG22 ' A' ' 53' ' ' THR . 0.4 OUTLIER -65.12 -49.17 70.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.0 ptt180 -60.48 -43.48 96.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 79' ' ' HIS . 96.6 t -62.43 -36.41 74.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.187 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -80.41 -73.57 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.915 HG23 HG22 ' A' ' 20' ' ' THR . 37.9 pt -86.66 155.58 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.6 t -178.88 123.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.75 179.2 4.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.3 t 57.15 70.99 1.2 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.63 0.729 . . . . 0.0 110.863 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 117.58 5.17 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.725 2.283 . . . . 0.0 112.347 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.6 p -111.34 151.31 28.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.113 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -138.04 37.01 2.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.66 30.59 3.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -79.43 -50.74 10.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.054 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 57.3 m -65.59 100.16 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.01 166.49 18.51 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.504 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 94.5 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.677 2.251 . . . . 0.0 112.348 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.03 95.14 1.04 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.89 178.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.514 179.961 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.421 -0.272 . . . . 0.0 112.421 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.74 -48.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.351 . . . . 0.0 110.861 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 59.54 93.66 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.81 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.46 -70.93 0.87 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.45 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.3 p -172.44 142.23 1.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.91 0.386 . . . . 0.0 110.826 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -113.6 -170.87 1.78 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.83 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 57.71 176.25 0.49 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.5 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.2 t 62.54 -176.66 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.815 0.341 . . . . 0.0 110.872 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -120.42 70.61 16.9 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.63 0.729 . . . . 0.0 110.893 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 102.35 1.02 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.644 2.229 . . . . 0.0 112.336 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 mp -70.33 152.9 43.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.9 mt -120.38 92.16 3.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -167.42 -74.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -171.4 -47.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.6 t 55.11 85.15 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.832 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.449 HG23 ' HD2' ' A' ' 17' ' ' PRO . 41.6 mm -64.99 133.16 95.69 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.644 0.735 . . . . 0.0 111.13 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.449 ' HD2' HG23 ' A' ' 16' ' ' ILE . 53.0 Cg_endo -69.77 -173.11 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.689 2.259 . . . . 0.0 112.362 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.3 130.31 46.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.905 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -97.23 22.96 7.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.4 p -118.3 32.39 6.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.092 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.01 25.41 9.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.072 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -111.48 168.12 9.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.4 t -153.42 -42.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.149 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.11 153.21 51.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.163 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.451 HG21 ' O ' ' A' ' 46' ' ' PHE . 77.8 t -52.11 -48.08 42.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.113 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.427 ' OD1' HD11 ' A' ' 42' ' ' LEU . 15.0 m-20 -52.22 -37.65 55.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.818 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.37 -50.61 13.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.826 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.581 ' CB ' HD21 ' A' ' 49' ' ' LEU . 13.4 t90 -53.52 -55.91 21.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.6 HD12 ' HA ' ' A' ' 38' ' ' ARG . 62.2 mt -55.64 -36.46 67.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.937 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.1 t -70.24 -18.29 63.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.25 -7.52 55.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.082 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.505 HD11 HD23 ' A' ' 29' ' ' LEU . 11.3 pt -122.65 11.15 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.166 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 67.36 12.58 8.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 66.6 mmm -104.65 22.57 14.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.409 HG22 ' HE ' ' A' ' 38' ' ' ARG . 0.5 OUTLIER -58.01 -22.07 18.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.131 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -55.56 -25.42 37.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -100.54 27.29 5.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.6 ' HA ' HD12 ' A' ' 29' ' ' LEU . 8.0 ptp180 -72.37 -25.97 61.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.956 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.613 ' O ' HG22 ' A' ' 43' ' ' THR . 0.5 OUTLIER -88.96 -27.99 20.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.793 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -63.29 -43.31 98.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.747 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.589 ' HD2' HD11 ' A' ' 29' ' ' LEU . 55.6 m-85 -77.59 -40.89 40.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.891 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.455 HD23 HG22 ' A' ' 47' ' ' THR . 22.7 mt -57.07 -56.59 19.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.919 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.613 HG22 ' O ' ' A' ' 39' ' ' ASP . 14.6 t -65.46 -30.77 71.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.34 -20.25 65.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.076 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.19 -16.74 24.76 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.499 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.451 ' O ' HG21 ' A' ' 25' ' ' VAL . 27.1 m-85 -82.5 89.15 6.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.946 0.403 . . . . 0.0 110.883 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.455 HG22 HD23 ' A' ' 42' ' ' LEU . 59.0 p -102.01 -25.23 13.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.8 m -105.96 132.59 51.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.581 HD21 ' CB ' ' A' ' 28' ' ' TRP . 9.4 mt -56.83 -32.73 66.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.921 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -54.08 -27.84 35.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 71.1 mt -88.92 -26.02 21.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.957 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.504 HG13 ' HE3' ' A' ' 55' ' ' MET . 93.9 t -74.88 -24.58 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.107 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.628 HG22 ' HB3' ' A' ' 81' ' ' MET . 45.5 p -66.4 -23.91 66.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.185 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -99.52 22.34 10.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.504 ' HE3' HG13 ' A' ' 52' ' ' VAL . 13.4 mtm -106.14 162.38 13.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.677 HG23 ' H ' ' A' ' 58' ' ' GLU . 14.4 t -133.15 174.52 10.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.14 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.664 ' HB3' HD11 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -52.04 -30.08 23.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.84 -179.822 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.677 ' H ' HG23 ' A' ' 56' ' ' THR . 21.1 mt-10 -66.24 -37.13 84.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.0 -33.99 77.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.1 mt -67.73 -36.48 80.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.969 HD23 HG22 ' A' ' 66' ' ' THR . 0.3 OUTLIER -76.47 -19.0 58.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 179.908 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -76.21 -37.6 57.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.889 HD11 HD12 ' A' ' 65' ' ' ILE . 37.1 pt -81.02 -26.29 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.131 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.668 ' O ' HG23 ' A' ' 66' ' ' THR . . . 144.87 -36.84 1.39 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.485 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.889 HD12 HD11 ' A' ' 63' ' ' ILE . 58.4 mt -53.9 101.67 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.952 0.406 . . . . 0.0 111.164 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.969 HG22 HD23 ' A' ' 61' ' ' LEU . 61.3 p -123.16 15.22 9.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.155 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -81.51 108.17 14.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.939 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.92 -34.28 59.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.11 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -77.12 -23.82 67.82 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.51 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.2 m170 -85.76 -47.39 9.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.765 0.317 . . . . 0.0 110.853 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -52.52 -38.37 59.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -28.27 31.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -84.96 -52.78 5.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.463 HG23 ' HH2' ' A' ' 28' ' ' TRP . 76.9 mt -52.26 -59.42 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.148 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.664 HD11 ' HB3' ' A' ' 57' ' ' SER . 52.9 mt -52.43 -44.9 65.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -55.7 -26.19 43.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.78 -48.05 7.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 62.3 mt -57.35 -36.32 52.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.144 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.64 ' O ' HG23 ' A' ' 83' ' ' VAL . 2.6 t-160 -69.55 -37.77 77.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.0 t -76.68 -29.04 56.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.628 ' HB3' HG22 ' A' ' 53' ' ' THR . 4.7 mtm -69.65 -54.63 12.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -52.19 -36.14 51.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 79' ' ' HIS . 92.3 t -69.05 -49.41 62.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -69.7 -73.26 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 49.6 pt -83.34 149.53 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.171 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 26.6 p -169.33 -43.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.29 169.63 1.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.6 m 60.36 68.82 1.29 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.686 0.755 . . . . 0.0 110.854 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -174.19 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.691 2.261 . . . . 0.0 112.334 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.1 t -57.42 -29.79 64.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.163 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 60.52 85.5 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.105 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 3.7 ptp -124.39 70.57 1.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 52.82 48.58 22.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.049 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.3 p -103.61 151.32 23.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -133.13 71.31 0.5 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.472 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 173.05 11.53 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.659 2.239 . . . . 0.0 112.337 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 t -72.08 -170.83 0.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.0 m -167.29 178.48 5.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 179.986 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 p -131.11 159.7 36.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.341 . . . . 0.0 110.89 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.17 175.22 5.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.41 -169.18 24.15 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.505 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 p -115.11 -174.56 2.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.877 0.37 . . . . 0.0 110.864 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -126.29 73.02 1.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.849 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.9 -166.58 32.66 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.498 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -140.07 163.33 33.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.806 0.336 . . . . 0.0 110.832 -179.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -129.9 71.0 82.27 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.664 0.745 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 167.78 23.48 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.703 2.269 . . . . 0.0 112.367 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -166.28 -176.52 3.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.94 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.4 mt -90.25 139.06 31.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.942 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -104.07 55.0 0.73 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.42 91.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.52 132.18 49.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.829 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.431 HG23 ' HD2' ' A' ' 17' ' ' PRO . 57.0 mt -77.62 133.13 67.26 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.64 0.733 . . . . 0.0 111.134 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.431 ' HD2' HG23 ' A' ' 16' ' ' ILE . 53.7 Cg_endo -69.82 -170.9 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.698 2.265 . . . . 0.0 112.356 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.572 ' OD1' ' HB3' ' A' ' 21' ' ' ALA . 3.0 p30 -100.68 131.96 46.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -104.54 -25.73 12.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 1.024 HG22 HG23 ' A' ' 85' ' ' ILE . 49.8 p -90.22 47.24 1.42 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.146 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.572 ' HB3' ' OD1' ' A' ' 18' ' ' ASP . . . -143.3 25.31 1.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.074 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -105.53 -175.05 2.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.912 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.8 t -167.78 -38.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.181 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.5 p -129.06 135.72 49.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.131 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.0 t -51.69 -30.08 11.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -62.65 -36.13 81.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.837 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -77.5 -49.7 14.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.443 ' CE3' HD11 ' A' ' 49' ' ' LEU . 12.6 t90 -53.0 -56.46 15.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.622 HD12 ' HA ' ' A' ' 38' ' ' ARG . 60.5 mt -55.73 -36.2 66.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.965 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.6 t -70.14 -18.14 63.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.31 -6.78 56.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.516 HD11 HD23 ' A' ' 29' ' ' LEU . 10.2 pt -123.55 11.08 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.084 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.9 mtmt 67.49 12.46 8.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 61.6 mmm -104.76 22.63 14.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.887 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.452 HG22 ' HE ' ' A' ' 38' ' ' ARG . 0.5 OUTLIER -58.24 -21.62 17.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.4 pt20 -55.47 -25.7 38.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -100.97 27.54 5.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.956 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.622 ' HA ' HD12 ' A' ' 29' ' ' LEU . 7.9 ptp180 -72.63 -27.93 62.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.893 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.628 ' O ' HG22 ' A' ' 43' ' ' THR . 3.6 m-20 -87.57 -27.42 22.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.755 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -62.72 -43.04 99.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.834 -179.764 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.535 ' HD2' HD11 ' A' ' 29' ' ' LEU . 57.2 m-85 -78.15 -41.24 35.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.1 mt -56.24 -61.33 2.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.628 HG22 ' O ' ' A' ' 39' ' ' ASP . 14.6 t -60.11 -30.9 69.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.26 -20.3 65.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.118 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.93 -17.36 20.1 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.454 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -81.3 87.01 6.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.89 0.376 . . . . 0.0 110.913 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 51.3 p -93.41 -32.74 14.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.165 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.5 m -108.04 134.65 50.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.828 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.531 HD12 ' CE ' ' A' ' 81' ' ' MET . 4.3 mm? -52.78 -29.49 27.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -52.99 -28.93 26.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 93.4 mt -89.57 -25.88 21.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.411 HG11 ' CZ3' ' A' ' 28' ' ' TRP . 95.4 t -76.42 -33.73 23.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.112 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.563 HG22 ' HB3' ' A' ' 81' ' ' MET . 46.5 p -57.7 -23.76 53.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -99.88 24.93 7.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.942 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 37.7 mmt -106.67 173.67 6.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.607 HG23 ' H ' ' A' ' 58' ' ' GLU . 14.4 t -143.98 174.37 10.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.109 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.696 ' HB3' HD11 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -51.98 -32.86 35.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.863 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.607 ' H ' HG23 ' A' ' 56' ' ' THR . 16.8 mt-10 -64.71 -40.01 94.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.871 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -63.32 -33.46 75.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 15.2 mt -66.88 -37.94 85.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.833 HD23 HG22 ' A' ' 66' ' ' THR . 0.4 OUTLIER -75.92 -18.93 59.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 179.898 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.8 -39.16 57.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.897 HD11 HD12 ' A' ' 65' ' ' ILE . 35.1 pt -79.59 -27.39 12.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.75 -36.32 1.34 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.482 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.897 HD12 HD11 ' A' ' 63' ' ' ILE . 59.1 mt -53.49 102.03 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.89 0.376 . . . . 0.0 111.159 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.833 HG22 HD23 ' A' ' 61' ' ' LEU . 40.3 p -123.64 14.0 9.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.123 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -81.4 107.11 13.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.14 -33.42 57.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -78.43 -19.23 74.44 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.489 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 38.6 m170 -91.42 -46.03 8.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.753 0.311 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -52.97 -38.93 62.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -54.4 -27.34 36.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -85.31 -51.01 6.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.535 HG22 ' CD1' ' A' ' 78' ' ' ILE . 80.3 mt -53.96 -61.37 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.127 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.696 HD11 ' HB3' ' A' ' 57' ' ' SER . 29.3 mt -53.67 -40.61 66.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -58.24 -26.09 62.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.3 t -93.17 -39.42 11.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.905 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.535 ' CD1' HG22 ' A' ' 74' ' ' ILE . 78.0 mt -65.63 -44.29 93.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.16 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.613 ' O ' HG23 ' A' ' 83' ' ' VAL . 2.3 t-160 -58.03 -35.66 71.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 14.9 t -85.56 -26.44 26.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.828 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.563 ' HB3' HG22 ' A' ' 53' ' ' THR . 0.2 OUTLIER -70.48 -44.41 67.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -64.36 -40.84 96.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 79' ' ' HIS . 95.7 t -63.5 -26.9 41.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -92.39 -71.39 0.65 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.958 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 1.024 HG23 HG22 ' A' ' 20' ' ' THR . 9.6 pt -88.76 171.12 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.183 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.5 t 63.11 66.04 0.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -78.57 131.06 36.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.961 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.84 160.6 71.36 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.654 0.74 . . . . 0.0 110.885 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 136.51 33.07 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.66 2.24 . . . . 0.0 112.355 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.7 t -118.05 155.41 30.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -170.59 80.47 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.088 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -64.85 145.88 55.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -168.16 -50.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.67 154.47 31.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -168.93 -70.3 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.483 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 175.42 8.16 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.697 2.265 . . . . 0.0 112.337 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.0 m 58.92 59.1 2.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.95 -44.84 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.471 179.979 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 m -60.58 -72.4 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.877 0.37 . . . . 0.0 110.874 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t 62.21 67.52 0.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.38 -40.21 1.45 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.1 m 57.02 83.32 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 0.0 110.844 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -149.11 90.76 1.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.24 -105.74 1.91 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.516 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.2 t -167.58 -61.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.358 . . . . 0.0 110.886 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -116.73 71.07 5.05 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.614 0.721 . . . . 0.0 110.9 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 174.7 9.14 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.641 2.228 . . . . 0.0 112.358 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -156.03 143.35 19.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.916 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.8 pp -85.44 152.33 23.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -110.46 -65.52 1.15 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.5 mmt85 -148.41 116.46 6.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -159.46 135.74 9.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.44 HG23 ' HD2' ' A' ' 17' ' ' PRO . 65.3 mt -91.45 133.09 31.94 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.624 0.726 . . . . 0.0 111.116 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.44 ' HD2' HG23 ' A' ' 16' ' ' ILE . 54.0 Cg_endo -69.82 -172.43 0.58 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.688 2.259 . . . . 0.0 112.33 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.97 112.14 25.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -78.06 -26.3 48.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.518 HG23 ' HB3' ' A' ' 84' ' ' GLN . 30.2 p -83.37 61.05 5.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.139 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -165.19 27.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.119 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -110.01 141.58 42.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.6 t -128.69 -42.17 1.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.191 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.4 p -124.1 137.1 54.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.511 HG21 ' O ' ' A' ' 46' ' ' PHE . 98.0 t -52.07 -29.64 11.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.142 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.555 ' OD2' HD11 ' A' ' 42' ' ' LEU . 2.0 m-20 -61.88 -34.56 76.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.45 -49.57 12.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.45 ' CE3' HD11 ' A' ' 49' ' ' LEU . 12.6 t90 -52.94 -56.5 15.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.616 HD12 ' HA ' ' A' ' 38' ' ' ARG . 58.1 mt -55.76 -36.57 67.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.4 t -69.66 -18.18 63.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.19 -7.33 55.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.096 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.5 HD11 HD23 ' A' ' 29' ' ' LEU . 10.0 pt -122.98 11.08 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.13 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt 67.45 12.49 8.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 60.7 mmm -104.85 22.79 14.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.434 HG22 ' HE ' ' A' ' 38' ' ' ARG . 0.5 OUTLIER -58.13 -21.98 18.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.164 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -55.6 -25.36 38.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -100.78 27.56 5.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.616 ' HA ' HD12 ' A' ' 29' ' ' LEU . 8.0 ptp180 -72.85 -27.08 61.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.605 ' O ' HG22 ' A' ' 43' ' ' THR . 1.2 m-20 -88.28 -27.63 21.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.641 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.9 OUTLIER -62.88 -43.17 99.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.793 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.494 ' HD2' HD11 ' A' ' 29' ' ' LEU . 57.4 m-85 -79.15 -44.18 22.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.834 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.555 HD11 ' OD2' ' A' ' 26' ' ' ASP . 15.3 mt -52.1 -63.14 1.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.605 HG22 ' O ' ' A' ' 39' ' ' ASP . 14.6 t -56.69 -30.86 63.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.24 -19.96 64.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.26 -17.43 24.12 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.505 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.511 ' O ' HG21 ' A' ' 25' ' ' VAL . 27.2 m-85 -77.42 74.21 3.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.882 0.372 . . . . 0.0 110.899 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.4 p -81.69 -34.51 30.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.104 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 38.0 m -106.68 140.32 39.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.713 ' O ' HG23 ' A' ' 53' ' ' THR . 4.3 mm? -59.65 -27.86 66.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -55.35 -26.29 40.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 74.5 mt -90.41 -26.04 20.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.3 t -80.89 -30.77 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.713 HG23 ' O ' ' A' ' 49' ' ' LEU . 67.4 p -57.86 -24.2 56.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -105.33 30.29 5.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 34.5 mmt -110.14 -176.13 2.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.664 HG23 ' H ' ' A' ' 58' ' ' GLU . 14.5 t -152.06 174.08 14.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.11 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.557 ' HB2' HD11 ' A' ' 75' ' ' LEU . 13.4 t -52.02 -30.15 24.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.664 ' H ' HG23 ' A' ' 56' ' ' THR . 42.6 mt-10 -61.38 -36.22 79.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -70.76 -32.56 69.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.0 mt -66.08 -40.98 91.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.908 HD23 HG22 ' A' ' 66' ' ' THR . 0.3 OUTLIER -74.33 -19.22 60.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.891 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -74.89 -42.09 58.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.905 HD11 HD12 ' A' ' 65' ' ' ILE . 33.2 pt -77.04 -30.21 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 148.82 -36.35 1.06 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.506 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.905 HD12 HD11 ' A' ' 63' ' ' ILE . 59.0 mt -51.74 103.05 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.924 0.392 . . . . 0.0 111.159 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.908 HG22 HD23 ' A' ' 61' ' ' LEU . 23.9 p -124.73 13.52 8.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -81.47 106.72 13.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.12 -32.5 55.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.082 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -79.32 -19.33 72.06 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.542 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.4 m170 -91.38 -45.65 8.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.775 0.322 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -53.11 -39.96 63.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.95 -27.84 33.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -84.61 -46.27 11.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.465 HG22 ' CD1' ' A' ' 78' ' ' ILE . 79.7 mt -57.85 -61.23 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.127 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.557 HD11 ' HB2' ' A' ' 57' ' ' SER . 5.1 mt -52.49 -45.13 66.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 29.6 m-20 -56.08 -26.17 48.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.8 t -91.14 -44.39 9.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.465 ' CD1' HG22 ' A' ' 74' ' ' ILE . 80.7 mt -61.46 -44.97 99.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.082 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.606 ' O ' HG23 ' A' ' 83' ' ' VAL . 2.8 t-160 -57.13 -37.75 72.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.8 t -82.17 -26.44 33.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.591 ' CE ' HD12 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -67.52 -50.4 58.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -60.55 -42.84 97.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 79' ' ' HIS . 97.9 t -62.2 -25.39 37.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.518 ' HB3' HG23 ' A' ' 20' ' ' THR . 31.8 mm-40 -93.15 -74.44 0.53 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 23.5 pt -80.55 -177.82 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.149 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 29.9 t 54.15 90.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.817 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -57.71 127.31 31.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -168.9 160.5 8.15 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.675 0.75 . . . . 0.0 110.86 -179.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.7 104.24 1.28 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.664 2.243 . . . . 0.0 112.357 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -151.34 131.66 13.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -151.95 140.18 20.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.1 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.02 165.73 26.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -105.94 158.71 16.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 10.4 p -111.11 161.98 15.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.824 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 58.66 72.51 0.59 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.439 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 99.74 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.645 2.23 . . . . 0.0 112.323 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 11.6 m 54.82 74.02 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 m -62.8 117.88 6.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.463 -179.964 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.9 m 56.86 79.14 0.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.841 0.353 . . . . 0.0 110.865 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.0 120.99 35.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.84 -86.51 1.62 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.454 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 m 59.79 66.81 0.94 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.895 0.378 . . . . 0.0 110.864 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.1 p -143.24 170.48 15.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.82 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.39 176.51 44.63 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.475 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.3 t -110.34 167.45 10.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.796 0.331 . . . . 0.0 110.875 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.43 160.54 1.29 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.609 0.719 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 81.51 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.643 2.229 . . . . 0.0 112.349 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.8 mt -124.44 164.64 19.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.928 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 mp 59.97 83.32 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.57 -36.64 84.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 55.66 -175.3 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.17 34.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.442 HG23 ' HD2' ' A' ' 17' ' ' PRO . 60.8 mt -110.13 133.05 21.14 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.639 0.733 . . . . 0.0 111.114 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.442 ' HD2' HG23 ' A' ' 16' ' ' ILE . 53.8 Cg_endo -69.74 -171.72 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.683 2.255 . . . . 0.0 112.326 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -101.97 112.44 25.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -76.96 -26.33 53.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 35.7 p -93.09 42.63 1.1 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.16 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.1 25.33 4.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.166 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -112.5 -177.53 3.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.5 t -167.06 -41.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -133.09 153.62 51.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.461 HG21 ' O ' ' A' ' 46' ' ' PHE . 39.0 t -51.89 -50.32 33.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -52.88 -32.42 44.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.73 -51.74 8.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.862 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.487 ' CZ3' HG11 ' A' ' 52' ' ' VAL . 12.9 t90 -53.21 -55.26 25.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.573 HD11 ' HD2' ' A' ' 41' ' ' PHE . 79.5 mt -55.57 -36.89 67.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.8 t -69.82 -18.49 63.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.869 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.26 -5.59 57.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.074 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.512 HD11 HD23 ' A' ' 29' ' ' LEU . 11.3 pt -124.87 10.98 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.143 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt 67.57 12.38 8.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 59.0 mmm -104.65 22.6 14.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -58.37 -21.51 18.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -55.56 -25.47 38.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.958 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -99.99 27.25 5.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.532 ' HA ' HD12 ' A' ' 29' ' ' LEU . 6.5 ptp180 -71.85 -25.66 62.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.569 ' O ' HG22 ' A' ' 43' ' ' THR . 3.0 m-20 -90.22 -27.85 19.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.795 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -62.81 -43.22 99.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.737 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.573 ' HD2' HD11 ' A' ' 29' ' ' LEU . 53.9 m-85 -76.65 -43.92 36.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.9 mt -52.95 -61.53 2.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.569 HG22 ' O ' ' A' ' 39' ' ' ASP . 14.6 t -60.6 -30.73 70.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.03 -20.3 65.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.98 -17.21 20.09 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.512 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.461 ' O ' HG21 ' A' ' 25' ' ' VAL . 28.0 m-85 -81.04 89.07 5.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.859 0.361 . . . . 0.0 110.859 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 67.4 p -96.91 -25.62 15.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 69.6 m -111.92 146.91 36.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.47 HD21 ' CB ' ' A' ' 28' ' ' TRP . 25.5 mt -67.3 -30.77 70.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.93 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -54.18 -28.24 39.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.7 mt -88.82 -26.4 21.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.487 HG11 ' CZ3' ' A' ' 28' ' ' TRP . 89.9 t -80.68 -25.13 11.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.113 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.731 HG22 ' HB3' ' A' ' 81' ' ' MET . 21.7 p -65.05 -24.96 67.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.16 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -103.04 26.22 8.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 34.4 mmt -100.4 -176.43 3.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.655 HG23 ' H ' ' A' ' 58' ' ' GLU . 14.6 t -148.84 173.84 12.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.154 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.759 ' HB3' HD11 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -52.11 -30.08 24.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 -179.859 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.655 ' H ' HG23 ' A' ' 56' ' ' THR . 40.4 mt-10 -63.36 -47.17 83.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -52.62 -33.24 45.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.5 mt -68.82 -43.33 75.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 1.049 HD23 HG22 ' A' ' 66' ' ' THR . 0.4 OUTLIER -74.63 -19.23 60.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.911 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -74.72 -40.61 61.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.854 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.881 HD11 HD12 ' A' ' 65' ' ' ILE . 34.5 pt -79.1 -27.4 13.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.567 ' O ' HG23 ' A' ' 66' ' ' THR . . . 145.72 -36.56 1.33 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.457 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.881 HD12 HD11 ' A' ' 63' ' ' ILE . 63.6 mt -51.64 103.24 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.926 0.393 . . . . 0.0 111.115 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 1.049 HG22 HD23 ' A' ' 61' ' ' LEU . 77.3 p -124.21 15.96 9.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -81.69 114.92 20.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.98 -31.52 69.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.103 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -80.94 -20.19 65.87 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.495 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -90.51 -44.01 9.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.773 0.32 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -55.26 -39.86 70.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.46 -26.08 40.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -85.36 -51.89 6.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.439 HG23 ' HH2' ' A' ' 28' ' ' TRP . 77.3 mt -52.94 -61.41 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.759 HD11 ' HB3' ' A' ' 57' ' ' SER . 60.4 mt -52.13 -46.79 65.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.949 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -54.76 -27.05 38.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.99 -51.52 5.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 64.3 mt -52.41 -43.88 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.145 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.62 ' O ' HG23 ' A' ' 83' ' ' VAL . 2.3 t-160 -59.05 -36.23 74.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.6 m -81.23 -26.53 35.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.731 ' HB3' HG22 ' A' ' 53' ' ' THR . 0.9 OUTLIER -69.46 -55.68 9.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.1 ptt180 -52.13 -41.68 62.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 79' ' ' HIS . 91.6 t -61.35 -49.71 83.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.136 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -70.37 -74.3 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.959 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 43.6 pt -83.94 149.77 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.095 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 29.3 p -166.35 36.51 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.1 178.21 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.893 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.2 m -107.86 160.59 26.24 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.678 0.751 . . . . 0.0 110.837 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 80.48 0.89 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.679 2.253 . . . . 0.0 112.327 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 16.4 p -127.12 162.8 25.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.194 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -135.44 155.33 50.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.097 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 12.2 mtt -134.81 178.67 6.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -118.68 26.06 9.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.072 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 26.2 t -130.66 102.54 6.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -137.53 71.01 0.47 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.503 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 130.69 19.77 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.659 2.239 . . . . 0.0 112.377 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 46.4 t -59.94 120.56 9.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.1 t 61.47 -177.57 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.516 179.961 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -151.92 91.11 1.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.891 0.377 . . . . 0.0 110.814 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.77 144.63 29.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.53 55.08 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.433 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -148.85 86.95 1.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.84 0.352 . . . . 0.0 110.838 -179.722 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.33 120.07 38.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.45 -168.16 17.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.489 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.6 t 56.74 58.9 3.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 110.813 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 55.2 mm-40 55.6 68.35 2.48 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.572 0.701 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 123.42 10.07 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.331 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 56.0 -173.62 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -89.98 105.27 17.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -94.17 -68.11 0.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.819 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -130.1 26.92 5.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 55.94 41.78 29.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.451 HG23 ' HD2' ' A' ' 17' ' ' PRO . 41.7 mm -87.75 133.16 38.35 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.629 0.728 . . . . 0.0 111.157 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.451 ' HD2' HG23 ' A' ' 16' ' ' ILE . 53.6 Cg_endo -69.79 179.43 3.72 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.661 2.24 . . . . 0.0 112.329 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -91.91 112.73 24.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -84.09 -26.95 28.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.1 p -93.6 40.96 1.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.126 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.65 25.23 4.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.086 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -114.12 178.82 4.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.5 t -162.35 -42.4 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.128 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -133.1 156.61 47.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.528 HG21 ' O ' ' A' ' 46' ' ' PHE . 46.5 t -53.86 -49.77 56.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.13 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -53.71 -30.87 45.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.97 -51.25 8.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.822 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.61 ' CZ3' HG11 ' A' ' 52' ' ' VAL . 13.4 t90 -53.93 -55.02 30.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.595 HD11 ' HD2' ' A' ' 41' ' ' PHE . 76.6 mt -55.77 -36.63 67.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.0 t -70.13 -17.69 63.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.82 -7.75 53.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.54 HD11 HD23 ' A' ' 29' ' ' LEU . 10.8 pt -122.47 11.5 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.106 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 67.1 12.75 9.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.948 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 85.4 mmm -105.0 22.76 14.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.942 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.15 -21.95 18.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -55.48 -25.57 37.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -100.03 27.5 5.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.977 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.545 ' HA ' HD12 ' A' ' 29' ' ' LEU . 3.6 ptp85 -71.85 -25.94 62.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.854 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.613 ' O ' HG22 ' A' ' 43' ' ' THR . 1.1 m-20 -88.46 -29.01 20.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.853 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.795 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -62.43 -43.93 97.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.771 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.595 ' HD2' HD11 ' A' ' 29' ' ' LEU . 54.2 m-85 -76.91 -40.4 47.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.9 mt -57.92 -57.9 10.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.613 HG22 ' O ' ' A' ' 39' ' ' ASP . 14.6 t -63.36 -30.74 71.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.157 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.88 -20.3 65.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.73 -16.94 20.91 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.522 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.528 ' O ' HG21 ' A' ' 25' ' ' VAL . 27.7 m-85 -81.31 87.1 6.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.914 0.388 . . . . 0.0 110.885 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 46.4 p -95.28 -25.3 16.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.144 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.6 m -112.11 137.46 50.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 22.0 mt -58.27 -28.71 65.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -54.22 -27.62 35.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.6 mt -90.72 -26.09 19.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.61 HG11 ' CZ3' ' A' ' 28' ' ' TRP . 96.1 t -75.47 -29.34 20.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.092 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.671 HG22 ' HB3' ' A' ' 81' ' ' MET . 31.2 p -61.77 -24.81 67.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -101.12 25.62 7.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 38.7 mmt -104.81 166.73 10.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.821 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.6 t -136.36 173.84 11.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.767 ' HB3' HD11 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -52.19 -39.06 59.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.875 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -58.94 -41.15 86.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -59.72 -34.37 72.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.824 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.0 mt -67.6 -34.89 77.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.951 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.884 HD23 HG22 ' A' ' 66' ' ' THR . 0.4 OUTLIER -77.09 -18.57 57.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.9 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.7 mtm180 -77.32 -37.24 52.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.949 HD11 HD12 ' A' ' 65' ' ' ILE . 36.7 pt -80.58 -27.14 11.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.618 ' O ' HG23 ' A' ' 66' ' ' THR . . . 145.8 -36.43 1.33 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.538 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.949 HD12 HD11 ' A' ' 63' ' ' ILE . 53.5 mt -55.12 100.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 0.0 111.138 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.884 HG22 HD23 ' A' ' 61' ' ' LEU . 68.3 p -121.55 13.98 10.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.172 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -81.21 126.57 31.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.24 -32.15 69.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.082 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -79.44 -20.19 69.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.445 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 47.0 m170 -89.98 -45.74 8.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.777 0.322 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -54.05 -38.32 65.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -56.27 -25.86 49.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -85.59 -52.25 5.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.5 HG22 ' CD1' ' A' ' 78' ' ' ILE . 79.5 mt -53.77 -60.96 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.142 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.767 HD11 ' HB3' ' A' ' 57' ' ' SER . 47.4 mt -53.2 -41.66 65.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -58.73 -26.18 63.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.62 -48.72 6.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.5 ' CD1' HG22 ' A' ' 74' ' ' ILE . 78.3 mt -55.1 -46.46 77.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.62 ' O ' HG23 ' A' ' 83' ' ' VAL . 2.4 t-160 -56.32 -36.15 68.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.818 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.6 m -81.86 -26.44 34.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.838 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.671 ' HB3' HG22 ' A' ' 53' ' ' THR . 0.7 OUTLIER -69.79 -55.47 9.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.888 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 -52.12 -41.85 62.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 79' ' ' HIS . 92.8 t -60.56 -44.46 96.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -75.94 -74.39 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 40.7 pt -82.89 148.98 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.091 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 t -175.89 132.02 0.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.68 113.29 22.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.62 160.57 1.36 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.627 0.727 . . . . 0.0 110.877 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -37.54 8.99 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.726 2.284 . . . . 0.0 112.339 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -71.59 145.65 48.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -128.01 92.9 3.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.081 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -70.87 -63.06 1.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 59.01 25.87 14.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.3 m 57.96 62.85 1.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -77.55 -74.37 1.0 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.469 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 93.97 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.689 2.259 . . . . 0.0 112.301 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.7 m -100.68 -51.15 3.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.9 m -145.32 119.81 9.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.832 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.525 179.997 . . . . . . . . 0 0 . 1 stop_ save_